SCHEMBL7002269

SCHEMBL7002269

CC1(C)OC(c2ccc(S(N)(=O)=O)cc2Cl)=C(c2cc(F)ccc2F)C1=O

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRAF P15056 7/20 0.41
PTGS1 P23219 8/20 0.38
PTGS2 P35354 8/20 0.38
CA12 O43570 3/20 0.37
CA1 P00915 3/20 0.37
CA2 P00918 3/20 0.37
CA9 Q16790 3/20 0.37
CA4 P22748 1/20 0.37
CA6 P23280 1/20 0.37
CA5A P35218 1/20 0.37
CA7 P43166 1/20 0.37
CA14 Q9ULX7 1/20 0.37
CA5B Q9Y2D0 1/20 0.37

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
SCHEMBL6994838 0.90 PTGS2 (0.41) BRAFPTGS1PTGS2
SCHEMBL6993926 0.90 CA1 (0.40) BRAFPTGS1PTGS2CA12CA1
SCHEMBL7001070 0.87 PTGS2 (0.41) PTGS1PTGS2CA12CA1CA2
SCHEMBL7001135 0.85 PTGS2 (0.39) BRAFPTGS1PTGS2CA12CA1
SCHEMBL3234556 0.84 PTGS2 (0.47) BRAFPTGS1PTGS2CA1CA2
SCHEMBL7003678 0.84 PTGS2 (0.47) BRAFPTGS1PTGS2CA12CA1
SCHEMBL7001634 0.83 CA1 (0.41) BRAFPTGS1PTGS2CA12CA1
SCHEMBL6996610 0.82 BRAF (0.38) BRAFCA1CA2CA9CA7
SCHEMBL6994747 0.81 BRAF (0.37) BRAFPTGS1PTGS2CA1CA2
SCHEMBL6991985 0.80 PTGS2 (0.42) BRAFPTGS1PTGS2

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