SCHEMBL6976542

SCHEMBL6976542

CS(=O)(=O)c1ccc(-c2c(-c3ccc(F)cc3)oc3ccc(F)cc3c2=O)cc1

nearest known ligand 0.69

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 12/20 0.69
PTGS1 P23219 2/20 0.52
MAPK14 Q16539 2/20 0.50

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
SCHEMBL6976093 0.91 PTGS2 (0.65) PTGS2PTGS1MAPK14
SCHEMBL6974098 0.90 PTGS2 (0.63) PTGS2PTGS1MAPK14
SCHEMBL6974285 0.90 PTGS2 (0.63) PTGS2PTGS1MAPK14
SCHEMBL6971876 0.88 PTGS2 (0.55) PTGS2PTGS1MAPK14
SCHEMBL6980918 0.88 PTGS2 (0.61) PTGS2PTGS1
SCHEMBL6981713 0.88 PTGS2 (0.66) PTGS2PTGS1
SCHEMBL6972292 0.87 PTGS2 (0.54) PTGS2PTGS1MAPK14
SCHEMBL6976446 0.87 PTGS2 (0.69) PTGS2PTGS1MAPK14
SCHEMBL6977093 0.87 PTGS2 (0.85) PTGS2PTGS1MAPK14
SCHEMBL6970999 0.86 PTGS2 (0.53) PTGS2PTGS1MAPK14

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