SCHEMBL6997637

SCHEMBL6997637

CC1(C)OC(c2ccc(S(N)(=O)=O)c(Br)c2)=C(c2ccc(F)cc2)C1=O

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 14/20 0.39
PTGS1 P23219 11/20 0.39
BRAF P15056 2/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
NR3C1 P04150 1/20 0.32
PGR P06401 1/20 0.32
NR3C2 P08235 1/20 0.32
CHRNA7 P36544 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
SCHEMBL6995550 0.92 PTGS2 (0.38) PTGS2PTGS1BRAFCA12CA1
SCHEMBL6998920 0.91 PTGS2 (0.41) PTGS2PTGS1
SCHEMBL6995570 0.89 MAOB (0.38) PTGS2PTGS1CA12CA1CA2
SCHEMBL6999336 0.89 PTGS2 (0.50) PTGS2PTGS1BRAF
SCHEMBL7001431 0.89 PTGS2 (0.46) PTGS2PTGS1BRAFPGR
SCHEMBL7003050 0.88 PTGS2 (0.39) PTGS2PTGS1BRAFCA12CA1
SCHEMBL6999608 0.88 BRAF (0.41) PTGS2PTGS1BRAFCA12CA1
SCHEMBL6997339 0.88 BRAF (0.41) PTGS2PTGS1BRAFCA12CA1
SCHEMBL6997983 0.87 PTGS2 (0.38) PTGS2PTGS1BRAFCA12CA1
SCHEMBL6997021 0.82 PTGS2 (0.43) PTGS2PTGS1PGR

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