SCHEMBL7001200

SCHEMBL7001200

CCC1(C)OC(c2ccc(S(N)(=O)=O)cc2)=C(c2cc(F)cc(F)c2)C1=O

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 16/20 0.43
PTGS1 P23219 12/20 0.39
SOS1 Q07889 1/20 0.37
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
CHRNA7 P36544 1/20 0.35

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
SCHEMBL7002614 0.91 KIF11 (0.40) PTGS2PTGS1CHRNA7
SCHEMBL7002929 0.91 PTGS2 (0.47) PTGS2PTGS1MAOAMAOB
SCHEMBL6999067 0.90 PTGS2 (0.48) PTGS2PTGS1
SCHEMBL7003062 0.89 PTGS2 (0.55) PTGS2PTGS1
SCHEMBL7000289 0.87 PTGS2 (0.46) PTGS2PTGS1SOS1
SCHEMBL6999365 0.86 PTGS2 (0.41) PTGS2PTGS1MAOAMAOBCHRNA7
SCHEMBL7004184 0.85 PTGS2 (0.46) PTGS2PTGS1SOS1MAOAMAOB
SCHEMBL6997291 0.85 PTGS2 (0.37) PTGS2PTGS1CHRNA7
SCHEMBL7001383 0.84 PTGS2 (0.36) PTGS2PTGS1CHRNA7
SCHEMBL7002299 0.84 PTGS2 (0.36) PTGS2PTGS1CHRNA7

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