SCHEMBL4621030

SCHEMBL4621030

CCC(c1cc(S(C)(=O)=O)cc(-c2nc(=O)c3ccc(F)cc3s2)n1)C(C)(C)C

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.31
PTGS1 P23219 4/20 0.31
KDM1A O60341 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
SCHEMBL4621808 0.80 SREBF2 (0.34) PTGS2PTGS1
SCHEMBL4620411 0.77 PPARA (0.33) PTGS2PTGS1
SCHEMBL4620378 0.76 PPARA (0.33)
SCHEMBL4093194 0.75 PTGDR2 (0.36)
SCHEMBL4088762 0.75 PIK3CD (0.34)
SCHEMBL4620002 0.74 PPARA (0.36)
SCHEMBL4623108 0.70 HTT (0.34)
SCHEMBL4621178 0.70 PPARA (0.31)
SCHEMBL4620903 0.70 PPARA (0.32)
SCHEMBL4622103 0.69 LMNA (0.35)

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1897880-A1 1,3-BENZOTHIAZINONE DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2008-03-12 EP disclosed