SCHEMBL6973317

SCHEMBL6973317

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

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.63
PLA2G2A P14555 1/20 0.51
PLA2G4A P47712 1/20 0.51
MAPK14 Q16539 2/20 0.49
PTGS1 P23219 1/20 0.48
LMNA P02545 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 2/20 0.47
HTT P42858 2/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TNKS O95271 1/20 0.46
TTR P02766 2/20 0.46
PTPN1 P18031 1/20 0.45
TP53 P04637 2/20 0.45
KDM4E B2RXH2 1/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 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
SCHEMBL6975340 0.91 PTGS2 (0.63) PTGS2PLA2G2APLA2G4AMAPK14PTGS1
SCHEMBL6974845 0.90 PTGS2 (0.72) PTGS2PLA2G2APLA2G4AMAPK14PTGS1
SCHEMBL6978875 0.87 PTGS2 (0.67) PTGS2PLA2G2APLA2G4AMAPK14PTGS1
SCHEMBL6977093 0.85 PTGS2 (0.85) PTGS2PLA2G2APLA2G4AMAPK14PTGS1
SCHEMBL6973940 0.85 PTGS2 (0.69) PTGS2PLA2G2APLA2G4AMAPK14PTGS1
SCHEMBL6970224 0.84 PTGS2 (0.67) PTGS2PLA2G2APLA2G4AMAPK14PTGS1
SCHEMBL6979358 0.84 PTGS2 (0.67) PTGS2PLA2G2APLA2G4AMAPK14PTGS1
SCHEMBL6978790 0.84 PTGS2 (0.63) PTGS2PLA2G2APLA2G4AMAPK14PTGS1
SCHEMBL6979278 0.83 MAPK14 (0.71) PTGS2PLA2G2APLA2G4AMAPK14PTGS1
SCHEMBL6976272 0.82 PTGS2 (0.65) 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 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