SCHEMBL6980206

SCHEMBL6980206

CS(=O)(=O)c1ccc(-c2oc3ccccc3c(=O)c2-c2ccc(OC(F)(F)F)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 12/20 0.63
MAPK14 Q16539 2/20 0.49
PTGS1 P23219 1/20 0.48
ABCG2 Q9UNQ0 1/20 0.46
PLA2G2A P14555 1/20 0.46
PLA2G4A P47712 1/20 0.46
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
CYP3A4 P08684 1/20 0.45
HSD17B10 Q99714 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45

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
SCHEMBL6971109 0.86 PTGS2 (0.65) PTGS2ABCG2KDM4EALDH1A1CYP3A4
SCHEMBL6977806 0.85 PTGS2 (0.67) PTGS2MAPK14PTGS1PLA2G2APLA2G4A
SCHEMBL6977093 0.85 PTGS2 (0.85) PTGS2MAPK14PTGS1PLA2G2APLA2G4A
SCHEMBL6974845 0.85 PTGS2 (0.72) PTGS2MAPK14PTGS1ABCG2PLA2G2A
SCHEMBL6973940 0.83 PTGS2 (0.69) PTGS2MAPK14PTGS1PLA2G2APLA2G4A
SCHEMBL6977512 0.82 PTGS2 (0.65) PTGS2MAPK14PTGS1PLA2G2APLA2G4A
SCHEMBL6970224 0.82 PTGS2 (0.67) PTGS2MAPK14PTGS1PLA2G2APLA2G4A
SCHEMBL6978875 0.82 PTGS2 (0.67) PTGS2MAPK14PTGS1PLA2G2APLA2G4A
SCHEMBL6979358 0.82 PTGS2 (0.67) PTGS2MAPK14PTGS1PLA2G2APLA2G4A
SCHEMBL6979278 0.81 MAPK14 (0.71) PTGS2MAPK14PTGS1PLA2G2APLA2G4A

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 8 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-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