SCHEMBL6981367

SCHEMBL6981367

Cc1cccc(-c2c(-c3ccc(S(C)(=O)=O)cc3)oc3ccccc3c2=O)c1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 13/20 0.60
PLA2G2A P14555 1/20 0.51
PLA2G4A P47712 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
RET P07949 1/20 0.47
TSHR P16473 1/20 0.47
ALOX12 P18054 1/20 0.47
KDR P35968 1/20 0.47
HTT P42858 1/20 0.47
MAPK14 Q16539 1/20 0.46
PTGS1 P23219 1/20 0.46

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
SCHEMBL6971026 0.90 PTGS2 (0.59) PTGS2PLA2G2APLA2G4AL3MBTL1LMNA
SCHEMBL6973940 0.88 PTGS2 (0.69) PTGS2PLA2G2APLA2G4ALMNATP53
SCHEMBL6974845 0.88 PTGS2 (0.72) PTGS2PLA2G2APLA2G4ALMNATP53
SCHEMBL6976262 0.87 PTGS2 (0.59) PTGS2PLA2G2APLA2G4ARETMAPK14
SCHEMBL6973175 0.87 PTGS2 (0.69) PTGS2PLA2G2APLA2G4AMAPK14PTGS1
SCHEMBL6971466 0.87 PTGS2 (0.56) PTGS2L3MBTL1PTGS1
SCHEMBL6972141 0.85 PTGS2 (0.60) PTGS2PLA2G2APLA2G4ATP53TSHR
SCHEMBL6981134 0.84 PTGS2 (0.56) PTGS2PLA2G2APLA2G4AMAPK14
SCHEMBL6972161 0.84 PTGS2 (0.58) PTGS2PLA2G2APLA2G4ALMNATP53
SCHEMBL6976779 0.84 PTGS2 (0.67) PTGS2PLA2G2APLA2G4AMAPK14PTGS1

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