SCHEMBL7001382

SCHEMBL7001382

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

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BRAF P15056 10/20 0.42
PTGS2 P35354 6/20 0.40
PTGS1 P23219 2/20 0.40
BRD4 O60885 1/20 0.36
CCR2 P41597 1/20 0.36
NR3C1 P04150 1/20 0.35
PGR P06401 1/20 0.35
NR3C2 P08235 1/20 0.35
AR P10275 1/20 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
SCHEMBL6999308 0.92 BRAF (0.42) BRAFPTGS2PTGS1BRD4CCR2
SCHEMBL7000963 0.91 BRAF (0.44) BRAFPTGS2PTGS1BRD4NR3C1
SCHEMBL6994072 0.90 BRAF (0.42) BRAFPTGS2PTGS1BRD4CCR2
SCHEMBL6995345 0.88 PTGS2 (0.41) BRAFPTGS2PTGS1BRD4
SCHEMBL6995210 0.87 BRAF (0.39) BRAFPTGS2PTGS1
SCHEMBL6996451 0.86 PTGS2 (0.44) BRAFPTGS2PTGS1NR3C1PGR
SCHEMBL7003155 0.84 PTGS2 (0.43) BRAFPTGS2PTGS1BRD4NR3C1
SCHEMBL6993381 0.84 PTGS2 (0.51) BRAFPTGS2PTGS1BRD4PGR
SCHEMBL6998106 0.83 PTGS2 (0.49) PTGS2PTGS1
SCHEMBL6998000 0.83 PTGS2 (0.42) PTGS2PTGS1CCR2NR3C1PGR

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