SCHEMBL6996596

SCHEMBL6996596

CCC1(CC)OC(c2ccc(S(C)(=O)=O)cc2)=C(c2cccc(Cl)c2)C1=O

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 16/20 0.42
PTGS1 P23219 6/20 0.42
PGR P06401 1/20 0.41
RORC P51449 1/20 0.40

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
SCHEMBL7001149 0.88 PTGS2 (0.45) PTGS2PTGS1
SCHEMBL6994456 0.88 PTGS2 (0.44) PTGS2PTGS1PGR
SCHEMBL7001185 0.87 PTGS2 (0.51) PTGS2PTGS1
SCHEMBL6997838 0.86 PTGS2 (0.58) PTGS2PTGS1
SCHEMBL7001779 0.86 PTGS2 (0.54) PTGS2PTGS1
SCHEMBL6997781 0.85 PTGS2 (0.56) PTGS2PTGS1
SCHEMBL7002333 0.85 PTGS2 (0.50) PTGS2PTGS1PGR
SCHEMBL6994915 0.84 PTGS2 (0.46) PTGS2PTGS1
SCHEMBL6998575 0.84 PTGS2 (0.43) PTGS2PTGS1
SCHEMBL6998559 0.84 PTGS2 (0.54) 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 6 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-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