SCHEMBL6976093

SCHEMBL6976093

Cc1ccc2oc(-c3ccc(S(C)(=O)=O)cc3)c(-c3ccc(F)cc3)c(=O)c2c1

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 14/20 0.65
PTGS1 P23219 2/20 0.49
MAPK14 Q16539 1/20 0.47
TP53 P04637 1/20 0.47
MAPT P10636 1/20 0.47
CSNK2A2 P19784 1/20 0.47
CSNK2B P67870 1/20 0.47
CSNK2A1 P68400 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6976542 0.91 PTGS2 (0.69) PTGS2PTGS1MAPK14
SCHEMBL6974285 0.87 PTGS2 (0.63) PTGS2PTGS1MAPK14MAPT
SCHEMBL6974098 0.87 PTGS2 (0.63) PTGS2PTGS1MAPK14
SCHEMBL6980918 0.85 PTGS2 (0.61) PTGS2PTGS1MAPT
SCHEMBL6977093 0.84 PTGS2 (0.85) PTGS2PTGS1MAPK14
SCHEMBL6975423 0.82 PTGS2 (0.60) PTGS2PTGS1MAPK14
SCHEMBL6972292 0.82 PTGS2 (0.54) PTGS2PTGS1MAPK14
SCHEMBL6973940 0.81 PTGS2 (0.69) PTGS2PTGS1MAPK14TP53
SCHEMBL6971876 0.81 PTGS2 (0.55) PTGS2PTGS1MAPK14
SCHEMBL6981713 0.80 PTGS2 (0.66) PTGS2PTGS1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1105384-B1 DIARYLBENZOPYRAN DERIVATIVES AS CYCLOOXYGENASE-2 INHIBITORS PACIFIC CORP (KR) 2003-03-26 EP claimed
US-6340694-B1 Diarylbenzopyran derivatives as cyclooxygenase-2 inhibitors PACIFIC CORPORATION (KR) 2002-01-22 US claimed
CN-1323301-A Diarylbenzopyran derivatives as cyclooxygenase-2 inhibitors PACIFIC CORP (KR) 2001-11-21 CN claimed
EP-1105384-A1 DIARYLBENZOPYRAN DERIVATIVES AS CYCLOOXYGENASE-2 INHIBITORS PACIFIC CORPORATION (KR) 2001-06-13 EP claimed
WO-2000010993-A1 DIARYLBENZOPYRAN DERIVATIVES AS CYCLOOXYGENASE-2 INHIBITORS PACIFIC CORPORATION (KR) 2000-03-02 WO claimed
EP-1105384-B1 DIARYLBENZOPYRAN DERIVATIVES AS CYCLOOXYGENASE-2 INHIBITORS PACIFIC CORP (KR) 2003-03-26 EP disclosed
US-6340694-B1 Diarylbenzopyran derivatives as cyclooxygenase-2 inhibitors PACIFIC CORPORATION (KR) 2002-01-22 US disclosed
CN-1323301-A Diarylbenzopyran derivatives as cyclooxygenase-2 inhibitors PACIFIC CORP (KR) 2001-11-21 CN disclosed
EP-1105384-A1 DIARYLBENZOPYRAN DERIVATIVES AS CYCLOOXYGENASE-2 INHIBITORS PACIFIC CORPORATION (KR) 2001-06-13 EP disclosed
WO-2000010993-A1 DIARYLBENZOPYRAN DERIVATIVES AS CYCLOOXYGENASE-2 INHIBITORS PACIFIC CORPORATION (KR) 2000-03-02 WO disclosed