SCHEMBL6994072

SCHEMBL6994072

CC1(C)OC(c2ccc(S(C)(=O)=O)c(F)c2)=C(c2cc(F)ccc2F)C1=O

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BRAF P15056 8/20 0.42
PTGS2 P35354 7/20 0.38
PTGS1 P23219 2/20 0.38
BRD4 O60885 2/20 0.37
CCR2 P41597 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
SCHEMBL7002132 0.91 BRAF (0.42) BRAFPTGS2PTGS1BRD4CCR2
SCHEMBL6995210 0.90 BRAF (0.39) BRAFPTGS2PTGS1
SCHEMBL7001382 0.90 BRAF (0.42) BRAFPTGS2PTGS1BRD4CCR2
SCHEMBL3228658 0.90 PTGS2 (0.44) BRAFPTGS2PTGS1BRD4
SCHEMBL6998609 0.88 PTGS2 (0.43) BRAFPTGS2PTGS1BRD4
SCHEMBL6995613 0.87 PTGS2 (0.40) BRAFPTGS2PTGS1
SCHEMBL6998106 0.86 PTGS2 (0.49) PTGS2PTGS1
SCHEMBL7002751 0.86 PTGS2 (0.47) BRAFPTGS2PTGS1
SCHEMBL6999947 0.85 PTGS2 (0.45) BRAFPTGS2PTGS1BRD4
SCHEMBL6997576 0.84 PTGS2 (0.53) BRAFPTGS2PTGS1

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