title: Patents of bio-active compounds based on computer-aided drug discovery techniques.
abstract: In recent times, there has been an increased use of Computer-Aided Drug Discovery (CADD) techniques in Medicinal Chemistry as auxiliary tools in drug discovery. Whilst the ultimate goal of Medicinal Chemistry research is for the discovery of new drug candidates, a secondary yet important outcome that results is in the creation of new computational tools. This process is often accompanied by a lack of understanding of the legal aspects related to software and model use, that is, the copyright protection of new medicinal chemistry software and software-mediated discovered products. In the center of picture, which lies in the frontiers of legal, chemistry, and biosciences, we found computational modeling-based drug discovery patents. This article aims to review prominent cases of patents of bio-active organic compounds that involved/protect also computational techniques. We put special emphasis on patents based on Quantitative Structure-Activity Relationships (QSAR) models but we include other techniques too. An overview of relevant international issues on drug patenting is also presented.
authors.affiliation: Department of Organic Chemistry, Faculty of Pharmacy, University of Santiago de Compostela, Santiago de Compostela, 15782 Spain.
authors.forename: Francisco
authors.initials: F
authors.lastname: Prado-Prado
authors.forename: Xerardo
authors.initials: X
authors.lastname: Garcia-Mera
authors.forename: Jose Enrique
authors.initials: JE
authors.lastname: Rodriguez-Borges
authors.forename: Riccardo
authors.initials: R
authors.lastname: Concu
authors.forename: Lazaro Guillermo
authors.initials: LG
authors.lastname: Perez-Montoto
authors.forename: Humberto
authors.initials: H
authors.lastname: Gonzalez-Diaz
authors.forename: Aliuska
authors.initials: A
authors.lastname: Duardo-Sanchez
mesh_terms: D002626:Chemistry, Pharmaceutical / Q000191:economics / Q000331:legislation & jurisprudence* / Q000379:methods; D017076:Computer-Aided Design / Q000191:economics / Q000331:legislation & jurisprudence*; D055808:Drug Discovery / Q000379:methods*; D015394:Molecular Structure; D010330:Patents as Topic / Q000331:legislation & jurisprudence*; D004364:Pharmaceutical Preparations / Q000737:chemistry / Q000191:economics*; D021281:Quantitative Structure-Activity Relationship
chemical_list: D004364:Pharmaceutical Preparations