SCHEMBL6971026

SCHEMBL6971026

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

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 11/20 0.59
PTGS1 P23219 5/20 0.59
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
PLA2G2A P14555 1/20 0.50
PLA2G4A P47712 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.46
RET P07949 1/20 0.46
TSHR P16473 1/20 0.46
ALOX12 P18054 1/20 0.46
KDR P35968 1/20 0.46
HTT P42858 1/20 0.46
MAPK14 Q16539 1/20 0.46
DDR2 Q16832 1/20 0.44

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
SCHEMBL6981367 0.90 PTGS2 (0.60) PTGS2PTGS1PLA2G2APLA2G4AL3MBTL1
SCHEMBL6974513 0.88 PTGS2 (0.67) PTGS2PTGS1CA1CA2PLA2G2A
SCHEMBL6981356 0.87 PTGS2 (0.72) PTGS2PTGS1CA1CA2PLA2G2A
SCHEMBL6980058 0.86 PTGS2 (0.69) PTGS2PTGS1PLA2G2APLA2G4AMAPK14
SCHEMBL6978221 0.86 PTGS2 (0.59) PTGS2PTGS1CA1CA2PLA2G2A
SCHEMBL6974530 0.86 PTGS2 (0.60) PTGS2PTGS1CA1CA2PLA2G2A
SCHEMBL6977376 0.83 PTGS2 (0.67) PTGS2PTGS1CA1CA2PLA2G2A
SCHEMBL6971292 0.83 PTGS2 (0.65) PTGS2PTGS1CA1CA2PLA2G2A
SCHEMBL6981004 0.82 PTGS2 (0.85) PTGS2PTGS1PLA2G2APLA2G4AMAPK14
SCHEMBL6971198 0.81 PTGS2 (0.61) PTGS2PTGS1CA1CA2PLA2G2A

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