SCHEMBL2408646

SCHEMBL2408646

CC(C)(C)CN(Cc1cn(S(=O)(=O)c2cccnc2)c(-c2cccnc2C(F)(F)F)c1F)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.33
PTGDR2 Q9Y5Y4 2/20 0.33
PTGER2 P43116 5/20 0.32
GPBAR1 Q8TDU6 5/20 0.31
HTR6 P50406 1/20 0.31
CHRM5 P08912 1/20 0.31
DHODH Q02127 1/20 0.31
KDM4E B2RXH2 1/20 0.31
DAGLB Q8NCG7 1/20 0.30
DAGLA Q9Y4D2 1/20 0.30
TAS2R14 Q9NYV8 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
SCHEMBL2407587 0.93 DHODH (0.34) RORCPTGDR2HTR6CHRM5DHODH
SCHEMBL2411045 0.92 PTGER2 (0.33) RORCPTGDR2PTGER2HTR6KDM4E
SCHEMBL2408863 0.89 GPBAR1 (0.33) RORCPTGDR2PTGER2GPBAR1HTR6
SCHEMBL5005875 0.88 HTR6 (0.35) RORCPTGER2GPBAR1HTR6DHODH
SCHEMBL2408012 0.87 PTGDR2 (0.31) RORCPTGDR2PTGER2HTR6
SCHEMBL2408643 0.83 SOS1 (0.33) RORCGPBAR1HTR6
SCHEMBL1832153 0.83 PTGDR2 (0.32) RORCPTGDR2
SCHEMBL1833794 0.83 PTGDR2 (0.34) PTGDR2CHRM5
SCHEMBL2412422 0.82 PTGDR2 (0.34) PTGDR2HTR6DHODH
SCHEMBL1832666 0.82 PTGDR2 (0.33) RORCPTGDR2

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