SCHEMBL6975423

SCHEMBL6975423

Cc1ccc(-c2c(-c3ccc(S(N)(=O)=O)cc3)oc3ccc(F)cc3c2=O)cc1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 16/20 0.60
PTGS1 P23219 8/20 0.60
MAPK14 Q16539 1/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43

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
SCHEMBL6976446 0.93 PTGS2 (0.69) PTGS2PTGS1MAPK14
SCHEMBL6980615 0.89 PTGS2 (0.68) PTGS2PTGS1MAPK14CA12CA1
SCHEMBL6976803 0.88 PTGS2 (0.60) PTGS2PTGS1MAPK14CA12CA1
SCHEMBL6981287 0.86 PTGS2 (0.60) PTGS2PTGS1MAPK14CA12CA2
SCHEMBL6975420 0.84 PTGS2 (0.58) PTGS2PTGS1MAPK14CA12CA1
SCHEMBL6974513 0.84 PTGS2 (0.67) PTGS2PTGS1MAPK14CA12CA1
SCHEMBL6979214 0.84 PTGS2 (0.55) PTGS2PTGS1MAPK14CA1CA2
SCHEMBL6975829 0.84 PTGS2 (0.63) PTGS2PTGS1MAPK14
SCHEMBL6981716 0.83 PTGS2 (0.60) PTGS2PTGS1CA12CA1CA2
SCHEMBL6979230 0.83 PTGS2 (0.65) 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