SCHEMBL6997339

SCHEMBL6997339

CC1(C)OC(c2ccc(S(N)(=O)=O)c(Br)c2)=C(c2ccc(F)cc2F)C1=O

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRAF P15056 8/20 0.41
PTGS2 P35354 4/20 0.36
PTGS1 P23219 2/20 0.36
PTGES2 Q9H7Z7 1/20 0.34
BRD4 O60885 2/20 0.33
CYP3A4 P08684 1/20 0.33
HSD11B1 P28845 1/20 0.33
ALOX5AP P20292 2/20 0.33
FEN1 P39748 2/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32

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
SCHEMBL7002273 0.92 PTGS2 (0.39) BRAFPTGS2PTGS1BRD4ALOX5AP
SCHEMBL6999608 0.92 BRAF (0.41) BRAFPTGS2PTGS1BRD4CA12
SCHEMBL6998598 0.91 PTGS2 (0.44) BRAFPTGS2PTGS1PTGES2BRD4
SCHEMBL7001230 0.88 BRAF (0.44) BRAFPTGS2PTGS1BRD4CYP3A4
SCHEMBL6997637 0.88 PTGS2 (0.39) BRAFPTGS2PTGS1CA12CA1
SCHEMBL6996437 0.84 PTGS2 (0.46) PTGS2PTGS1
SCHEMBL6995550 0.84 PTGS2 (0.38) BRAFPTGS2PTGS1PTGES2CA12
SCHEMBL7001431 0.84 PTGS2 (0.46) BRAFPTGS2PTGS1
SCHEMBL7002132 0.84 BRAF (0.42) BRAFPTGS2PTGS1BRD4ALOX5AP
SCHEMBL6995210 0.83 BRAF (0.39) 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