SCHEMBL6996437

SCHEMBL6996437

CC1(C)OC(c2ccc(S(N)(=O)=O)cc2)=C(c2ccc(F)cc2F)C1=O

nearest known ligand 0.70

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 17/20 0.46
PTGS1 P23219 14/20 0.46
SOS1 Q07889 1/20 0.40
TDO2 P48775 1/20 0.39

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
SCHEMBL3234556 0.91 PTGS2 (0.47) PTGS2PTGS1TDO2
SCHEMBL7001634 0.89 CA1 (0.41) PTGS2PTGS1SOS1
SCHEMBL7002902 0.89 PTGS2 (0.53) PTGS2PTGS1
SCHEMBL7003051 0.88 PTGS2 (0.44) PTGS2PTGS1TDO2
SCHEMBL6998598 0.86 PTGS2 (0.44) PTGS2PTGS1
SCHEMBL7000143 0.86 PTGS2 (0.46) PTGS2PTGS1
SCHEMBL6992672 0.85 PTGS2 (0.51) PTGS2PTGS1
SCHEMBL6997339 0.84 BRAF (0.41) PTGS2PTGS1
SCHEMBL3228727 0.84 PTGS2 (0.46) PTGS2PTGS1
SCHEMBL7001230 0.84 BRAF (0.44) PTGS2PTGS1

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-1109799-B1 4,5-DIARYL-3(2H)-FURANONE DERIVATIVES AS CYCLOOXYGENASE-2 INHIBITORS PACIFIC CORP (KR) 2003-12-17 EP claimed
US-6492416-B1 TREATING INFLAMMATION AND ASSOCIATED DISORDERS PACIFIC CORPORATION (KR) 2002-12-10 US claimed
EP-1109799-A1 4,5-DIARYL-3(2H)-FURANONE DERIVATIVES AS CYCLOOXYGENASE-2 INHIBITORS PACIFIC CORPORATION (KR) 2001-06-27 EP claimed
WO-2000061571-A1 4,5-DIARYL-3(2H)-FURANONE DERIVATIVES AS CYCLOOXYGENASE-2 INHIBITORS PACIFIC CORPORATION (KR) 2000-10-19 WO claimed
EP-1109799-B1 4,5-DIARYL-3(2H)-FURANONE DERIVATIVES AS CYCLOOXYGENASE-2 INHIBITORS PACIFIC CORP (KR) 2003-12-17 EP disclosed
US-6492416-B1 TREATING INFLAMMATION AND ASSOCIATED DISORDERS PACIFIC CORPORATION (KR) 2002-12-10 US disclosed
EP-1109799-A1 4,5-DIARYL-3(2H)-FURANONE DERIVATIVES AS CYCLOOXYGENASE-2 INHIBITORS PACIFIC CORPORATION (KR) 2001-06-27 EP disclosed
WO-2000061571-A1 4,5-DIARYL-3(2H)-FURANONE DERIVATIVES AS CYCLOOXYGENASE-2 INHIBITORS PACIFIC CORPORATION (KR) 2000-10-19 WO disclosed