SCHEMBL7002273

SCHEMBL7002273

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

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 0.39
BRAF P15056 5/20 0.39
PTGS1 P23219 4/20 0.36
BRD4 O60885 2/20 0.33
PIK3CD O00329 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CB P42338 1/20 0.32
PIK3CG P48736 1/20 0.32
ALOX5AP P20292 1/20 0.32
FEN1 P39748 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
SCHEMBL6997339 0.92 BRAF (0.41) PTGS2BRAFPTGS1BRD4ALOX5AP
SCHEMBL6995210 0.92 BRAF (0.39) PTGS2BRAFPTGS1PIK3CDPIK3CA
SCHEMBL7002132 0.90 BRAF (0.42) PTGS2BRAFPTGS1BRD4ALOX5AP
SCHEMBL6998920 0.88 PTGS2 (0.41) PTGS2PTGS1PIK3CDPIK3CAPIK3CB
SCHEMBL6999308 0.87 BRAF (0.42) PTGS2BRAFPTGS1BRD4
SCHEMBL6998598 0.85 PTGS2 (0.44) PTGS2BRAFPTGS1BRD4ALOX5AP
SCHEMBL6997021 0.84 PTGS2 (0.43) PTGS2PTGS1PIK3CDPIK3CAPIK3CB
SCHEMBL6996672 0.84 PTGS2 (0.51) PTGS2PTGS1
SCHEMBL7002902 0.83 PTGS2 (0.53) PTGS2PTGS1
SCHEMBL6999608 0.83 BRAF (0.41) PTGS2BRAFPTGS1BRD4

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