SCHEMBL2415909

SCHEMBL2415909

CC(C)(C)CN(Cc1cn(S(=O)(=O)c2ccsc2)c(-c2cccnc2F)c1F)C(=O)O

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
IDE P14735 1/20 0.31
PTGDR2 Q9Y5Y4 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
SCHEMBL2409445 0.87 ESR1 (0.39) PTGDR2
SCHEMBL5005955 0.87 IDE (0.33) IDE
SCHEMBL2411045 0.86 PTGER2 (0.33) IDEPTGDR2
SCHEMBL2412836 0.86
SCHEMBL2414886 0.86 HTT (0.35) IDE
SCHEMBL4420273 0.86 HTR6 (0.36) IDEPTGDR2
SCHEMBL1833794 0.86 PTGDR2 (0.34) PTGDR2
SCHEMBL1834429 0.85 PTGDR2 (0.32) PTGDR2
SCHEMBL2408357 0.85 CTSD (0.32) PTGDR2
SCHEMBL2413762 0.85 SLC6A9 (0.35) PTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2364979-A1 Pyrrole compounds Takeda Pharmaceutical Company Limited (JP) 2011-09-14 EP disclosed
EP-2114917-A2 PYRROLE COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2009-11-11 EP disclosed
WO-2008108380-A2 PYRROLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-09-12 WO disclosed