SCHEMBL6997765

SCHEMBL6997765

CCC1(CC)OC(c2ccc(S(C)(=O)=O)cc2)=C(c2cccnc2)C1=O

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 14/20 0.53
PTGS1 P23219 5/20 0.53

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
SCHEMBL6993939 0.88 PTGS2 (0.52) PTGS2PTGS1
SCHEMBL7001154 0.86 PTGS2 (0.43) PTGS2PTGS1
SCHEMBL7001779 0.86 PTGS2 (0.54) PTGS2PTGS1
SCHEMBL6998616 0.85 PTGS2 (0.56) PTGS2PTGS1
SCHEMBL7000326 0.82 PTGS2 (0.49) PTGS2PTGS1
SCHEMBL7001149 0.81 PTGS2 (0.45) PTGS2PTGS1
SCHEMBL6994581 0.80 PTGS2 (0.53) PTGS2PTGS1
SCHEMBL7001185 0.80 PTGS2 (0.51) PTGS2PTGS1
SCHEMBL6996596 0.80 PTGS2 (0.42) PTGS2PTGS1
SCHEMBL6993385 0.80 PTGS2 (0.53) 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 4 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 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