SCHEMBL6996610

SCHEMBL6996610

C[S+]([O-])c1ccc(C2=C(c3cc(F)ccc3F)C(=O)C(C)(C)O2)c(Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BRAF P15056 11/20 0.38
MALT1 Q9UDY8 1/20 0.32
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA7 P43166 1/20 0.30
CA9 Q16790 1/20 0.30

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
SCHEMBL6996428 0.90 BRAF (0.35) BRAFMALT1CA1CA2CA7
SCHEMBL7002055 0.87 PTGS2 (0.33) BRAF
SCHEMBL6994802 0.84 PTGS2 (0.33) BRAF
SCHEMBL6996644 0.84 PTGS2 (0.40) BRAF
SCHEMBL7002126 0.83 BRAF (0.36) BRAFMALT1CA1CA2CA7
SCHEMBL6994838 0.83 PTGS2 (0.41) BRAF
SCHEMBL7002269 0.82 BRAF (0.41) BRAFCA1CA2CA7CA9
SCHEMBL6994747 0.81 BRAF (0.37) BRAFMALT1CA1CA2CA7
SCHEMBL6992401 0.81 BRAF (0.37) BRAF
SCHEMBL6999198 0.80 PTGS2 (0.32)

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