SCHEMBL6978757

SCHEMBL6978757

CSc1ccc(-c2c(-c3ccc(S(C)(=O)=O)cc3)oc3ccccc3c2=O)cc1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 10/20 0.65
MAPK14 Q16539 2/20 0.50
PTGS1 P23219 2/20 0.49
PLA2G2A P14555 1/20 0.49
PLA2G4A P47712 1/20 0.49
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
GLA P06280 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 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
SCHEMBL6978284 0.89 PTGS2 (0.63) PTGS2MAPK14PTGS1PLA2G2APLA2G4A
SCHEMBL6974845 0.89 PTGS2 (0.72) PTGS2MAPK14PTGS1PLA2G2APLA2G4A
SCHEMBL6977093 0.86 PTGS2 (0.85) PTGS2MAPK14PTGS1PLA2G2APLA2G4A
SCHEMBL6973940 0.86 PTGS2 (0.69) PTGS2MAPK14PTGS1PLA2G2APLA2G4A
SCHEMBL6970224 0.85 PTGS2 (0.67) PTGS2MAPK14PTGS1PLA2G2APLA2G4A
SCHEMBL6979358 0.85 PTGS2 (0.67) PTGS2MAPK14PTGS1PLA2G2APLA2G4A
SCHEMBL6978875 0.85 PTGS2 (0.67) PTGS2MAPK14PTGS1PLA2G2APLA2G4A
SCHEMBL6979278 0.84 MAPK14 (0.71) PTGS2MAPK14PTGS1PLA2G2APLA2G4A
SCHEMBL6979534 0.84 RET (0.58) PTGS2MAPK14PLA2G2APLA2G4AKDM4E
SCHEMBL7685589 0.84 MAPK14 (0.53) PTGS2MAPK14PLA2G2APLA2G4AKDM4E

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