SCHEMBL6994838

SCHEMBL6994838

CC1(C)OC(c2ccc(S(C)(=O)=O)cc2Cl)=C(c2cc(F)ccc2F)C1=O

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 14/20 0.41
PTGS1 P23219 3/20 0.41
BRAF P15056 5/20 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
SCHEMBL7002269 0.90 BRAF (0.41) PTGS2PTGS1BRAF
SCHEMBL6991985 0.90 PTGS2 (0.42) PTGS2PTGS1BRAF
SCHEMBL7001462 0.87 PTGS2 (0.49) PTGS2PTGS1
SCHEMBL7003139 0.84 PTGS2 (0.47) PTGS2PTGS1
SCHEMBL6998106 0.84 PTGS2 (0.49) PTGS2PTGS1
SCHEMBL6999969 0.84 PTGS2 (0.55) PTGS2PTGS1BRAF
SCHEMBL6995054 0.83 PTGS2 (0.46) PTGS2PTGS1BRAF
SCHEMBL6996610 0.83 BRAF (0.38) BRAF
SCHEMBL6994747 0.81 BRAF (0.37) PTGS2PTGS1BRAF
SCHEMBL6993926 0.80 CA1 (0.40) PTGS2PTGS1BRAF

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