Building structure-activity insights through patent mining.
One gap in current patent-mining practice is the lack of tools to build SAR knowledge. Here, we report a novel technique that enabled us to derive useful SAR information from the exemplified structures of a series of patents. In our approach, exemplified chemical structures were extracted from patent documents. They were grouped into structural series based on similarity and binding mode, after which the R-group table was generated. By analyzing R-group usages over time, we were able to build insights into SAR of a structural series, even though the biological activities were not available.
Pfizer Worldwide Research & Development, 620 Memorial Drive, Cambridge, MA 02139, USA.
Meihua
M
Tu
Jeffrey A
JA
Pfefferkorn
Angel
A
Guzman-Perez
Kevin J
KJ
Filipski
D057225:Data Mining / Q000379:methods*; D010330:Patents as Topic; D004364:Pharmaceutical Preparations / Q000737:chemistry*; D013329:Structure-Activity Relationship
D004364:Pharmaceutical Preparations