SCHEMBL7002132

SCHEMBL7002132

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

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BRAF P15056 4/20 0.42
PTGS2 P35354 9/20 0.41
BRD4 O60885 2/20 0.39
PTGS1 P23219 3/20 0.38
CCR2 P41597 1/20 0.36
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35
PDE3B Q13370 2/20 0.35
PDE3A Q14432 2/20 0.35

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
SCHEMBL6994072 0.91 BRAF (0.42) BRAFPTGS2BRD4PTGS1CCR2
SCHEMBL7002273 0.90 PTGS2 (0.39) BRAFPTGS2BRD4PTGS1ALOX5AP
SCHEMBL6999308 0.90 BRAF (0.42) BRAFPTGS2BRD4PTGS1CCR2
SCHEMBL6998598 0.90 PTGS2 (0.44) BRAFPTGS2BRD4PTGS1ALOX5AP
SCHEMBL6998609 0.88 PTGS2 (0.43) BRAFPTGS2BRD4PTGS1
SCHEMBL6995613 0.87 PTGS2 (0.40) BRAFPTGS2PTGS1ALOX5APFEN1
SCHEMBL7002902 0.86 PTGS2 (0.53) PTGS2PTGS1
SCHEMBL6999947 0.85 PTGS2 (0.45) BRAFPTGS2BRD4PTGS1
SCHEMBL6997576 0.84 PTGS2 (0.53) BRAFPTGS2PTGS1
SCHEMBL6997339 0.84 BRAF (0.41) BRAFPTGS2BRD4PTGS1ALOX5AP

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