SCHEMBL7000285

SCHEMBL7000285

CC1(C)OC(c2ccc(S(C)(=O)=O)cc2)=C(c2cc(F)cc(Cl)c2)C1=O

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 18/20 0.51
PTGS1 P23219 10/20 0.48
PGR P06401 1/20 0.44

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
SCHEMBL6995048 0.92 PTGS2 (0.53) PTGS2PTGS1
SCHEMBL6995425 0.92 PTGS2 (0.59) PTGS2PTGS1
SCHEMBL7000891 0.90 PGR (0.43) PTGS2PTGS1PGR
SCHEMBL6997578 0.87 PTGS2 (0.47) PTGS2PTGS1PGR
SCHEMBL6995322 0.85 PTGS2 (0.43) PTGS2PTGS1
SCHEMBL6994915 0.85 PTGS2 (0.46) PTGS2PTGS1
SCHEMBL6996172 0.85 PTGS2 (0.62) PTGS2PTGS1PGR
SCHEMBL6994647 0.84 PTGS1 (0.49) PTGS2PTGS1PGR
SCHEMBL6991394 0.84 PTGS2 (0.60) PTGS2PTGS1
SCHEMBL7001951 0.84 PTGS2 (0.57) 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 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