SCHEMBL7002929

SCHEMBL7002929

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

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 17/20 0.47
PTGS1 P23219 13/20 0.47
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42

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
SCHEMBL7001200 0.91 PTGS2 (0.43) PTGS2PTGS1MAOAMAOB
SCHEMBL6998108 0.89 PTGS2 (0.55) PTGS2PTGS1
SCHEMBL7002870 0.89 PTGS2 (0.51) PTGS2PTGS1MAOAMAOBCA12
SCHEMBL6993143 0.88 PTGS2 (0.52) PTGS2PTGS1MAOAMAOBCA12
SCHEMBL6999067 0.88 PTGS2 (0.48) PTGS2PTGS1CA12CA1CA2
SCHEMBL6995288 0.87 KIF11 (0.51) PTGS2PTGS1CA12CA1CA2
SCHEMBL7000289 0.87 PTGS2 (0.46) PTGS2PTGS1CA1CA2
SCHEMBL6994786 0.87 CA2 (0.45) PTGS2CA12CA1CA2CA9
SCHEMBL6997291 0.85 PTGS2 (0.37) PTGS2PTGS1
SCHEMBL6999843 0.85 CA1 (0.42) PTGS2CA12CA1CA2CA7

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