SCHEMBL6996428

SCHEMBL6996428

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

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BRAF P15056 8/20 0.35
MALT1 Q9UDY8 1/20 0.34
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
PDE3B Q13370 1/20 0.32
PDE3A Q14432 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
SCHEMBL7002126 0.93 BRAF (0.36) BRAFMALT1CA1CA2CA7
SCHEMBL6996610 0.90 BRAF (0.38) BRAFMALT1CA1CA2CA7
SCHEMBL6993854 0.87 BRAF (0.33) BRAFPDE3BPDE3A
SCHEMBL7001577 0.87 PTGS2 (0.34) BRAFMALT1PDE3BPDE3A
SCHEMBL7001563 0.85 PTGS2 (0.34) PDE3BPDE3A
SCHEMBL7000370 0.84 PTGS2 (0.42) BRAFPDE3BPDE3A
SCHEMBL7001164 0.84 PTGS2 (0.38) PDE3BPDE3A
SCHEMBL6999726 0.82 HSD11B1 (0.32) PDE3BPDE3A
SCHEMBL6998169 0.82 PGR (0.34) BRAF
SCHEMBL6991985 0.81 PTGS2 (0.42) BRAFMALT1

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