SCHEMBL4935674

SCHEMBL4935674

Cc1ccc(S(=O)(=O)n2cc(CCN(C(=O)O)C(C)(C)C)cc2Br)cn1

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.32
NAMPT P43490 2/20 0.31
GAA P10253 1/20 0.31

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
Carbamic Acid SCHEMBL4791640 0.85 PTGER2 (0.37) PTGDR2
SCHEMBL3907940 0.81 GAA (0.36) PTGDR2NAMPTGAA
SCHEMBL3907945 0.81 PTGDR2 (0.38) PTGDR2NAMPTGAA
SCHEMBL1278234 0.80 PTGDR2 (0.35) PTGDR2NAMPTGAA
SCHEMBL4569736 0.79 PTGDR (0.40) PTGDR2
SCHEMBL1278229 0.77 LGMN (0.33) PTGDR2NAMPTGAA
SCHEMBL1278232 0.76 HTR2C (0.35) NAMPT
SCHEMBL4422713 0.74
SCHEMBL4792892 0.72
SCHEMBL3903792 0.69 NAMPT (0.39) NAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1919865-A1 1-HETEROCYCLYLSULFONYL, 2-AMINOMETHYL, 5- (HETERO-) ARYL SUBSTITUTED 1-H-PYRROLE DERIVATIVES AS ACID SECRETION INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2008-05-14 EP disclosed
WO-2007026916-A1 1-HETEROCYCLYLSULFONYL, 2-AMINOMETHYL, 5- (HETERO-) ARYL SUBSTITUTED 1-H-PYRROLE DERIVATIVES AS ACID SECRETION INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-03-08 WO disclosed