SCHEMBL6991985

SCHEMBL6991985

CC1(C)OC(c2ccc(S(C)(=O)=O)cc2F)=C(c2cc(F)ccc2F)C1=O

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 14/20 0.42
PTGS1 P23219 5/20 0.41
BRAF P15056 2/20 0.38
TGFBR1 P36897 1/20 0.36
MALT1 Q9UDY8 1/20 0.36

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
SCHEMBL6995054 0.93 PTGS2 (0.46) PTGS2PTGS1BRAF
SCHEMBL6994838 0.90 PTGS2 (0.41) PTGS2PTGS1BRAF
SCHEMBL6993926 0.90 CA1 (0.40) PTGS2PTGS1BRAFMALT1
SCHEMBL6999885 0.87 PTGS2 (0.50) PTGS2PTGS1
SCHEMBL6993299 0.87 PTGS2 (0.43) PTGS2PTGS1BRAF
SCHEMBL6998106 0.87 PTGS2 (0.49) PTGS2PTGS1TGFBR1
SCHEMBL6997003 0.85 PTGS2 (0.49) PTGS2PTGS1
SCHEMBL6997585 0.84 PTGS2 (0.57) PTGS2PTGS1
SCHEMBL6995804 0.84 PTGS2 (0.53) PTGS2PTGS1
SCHEMBL6994338 0.82 PTGS2 (0.45) 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