SCHEMBL6997219

SCHEMBL6997219

CC1(C)OC(c2ccc(S(N)(=O)=O)cc2F)=C(c2cccc(Cl)c2)C1=O

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
PTGS1 P23219 10/20 0.38
PTGS2 P35354 10/20 0.38
BRAF P15056 2/20 0.38
CA9 Q16790 2/20 0.38
CA13 Q8N1Q1 1/20 0.38
CHRNA7 P36544 2/20 0.37
CA12 O43570 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
CA5A P35218 1/20 0.36
CA7 P43166 1/20 0.36
CA14 Q9ULX7 1/20 0.36
CA5B Q9Y2D0 1/20 0.36

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
SCHEMBL6995060 0.91 PTGS2 (0.45) PTGS1PTGS2
SCHEMBL7001112 0.89 CA1 (0.43) CA1CA2PTGS1PTGS2CA9
SCHEMBL7001723 0.89 PTGS2 (0.48) CA1CA2PTGS1PTGS2BRAF
SCHEMBL6993214 0.88 PTGS2 (0.42) CA1CA2PTGS1PTGS2CA9
SCHEMBL7003323 0.87 PTGS2 (0.46) CA1CA2PTGS1PTGS2CA9
SCHEMBL7000249 0.86 KDM4E (0.39) CA1CA2PTGS1PTGS2CA9
SCHEMBL3232569 0.85 CA2 (0.51) CA1CA2PTGS1PTGS2CA9
SCHEMBL7691714 0.84 BRAF (0.43) CA1CA2PTGS1PTGS2BRAF
SCHEMBL3231323 0.84 PTGS2 (0.41) CA1CA2PTGS1PTGS2CA9
SCHEMBL3228727 0.84 PTGS2 (0.46) CA1CA2PTGS1PTGS2CA9

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