SCHEMBL6995060

SCHEMBL6995060

CC1(C)OC(c2ccc(S(C)(=O)=O)cc2F)=C(c2cccc(Cl)c2)C1=O

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 18/20 0.45
PTGS1 P23219 7/20 0.45
SCD O00767 1/20 0.37

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
SCHEMBL6997219 0.91 CA1 (0.41) PTGS2PTGS1
SCHEMBL6997585 0.89 PTGS2 (0.57) PTGS2PTGS1SCD
SCHEMBL7001429 0.89 PTGS2 (0.48) PTGS2PTGS1SCD
SCHEMBL6994338 0.88 PTGS2 (0.45) PTGS2PTGS1
SCHEMBL6995804 0.87 PTGS2 (0.53) PTGS2PTGS1
SCHEMBL6997353 0.85 PTGS2 (0.43) PTGS2PTGS1
SCHEMBL7002333 0.84 PTGS2 (0.50) PTGS2PTGS1
SCHEMBL6999885 0.83 PTGS2 (0.50) PTGS2PTGS1
SCHEMBL6997003 0.83 PTGS2 (0.49) PTGS2PTGS1
SCHEMBL6994790 0.83 PGR (0.36) 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