SCHEMBL2411540

SCHEMBL2411540

COc1cccc(S(=O)(=O)n2cc(CN(C)C(=O)OC(C)(C)C)c(F)c2-c2cccnc2F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 1/20 0.41
FGFR4 P22455 1/20 0.37
HTR6 P50406 7/20 0.36
F2 P00734 3/20 0.35
NFE2L2 Q16236 1/20 0.35
MMP2 P08253 2/20 0.35
MMP9 P14780 2/20 0.35
MMP8 P22894 2/20 0.35
MMP13 P45452 2/20 0.35
ERAP1 Q9NZ08 1/20 0.34
ELAVL1 Q15717 1/20 0.34
TGFBR1 P36897 1/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
HTR1A P08908 1/20 0.33
DRD2 P14416 1/20 0.33
HTR1D P28221 1/20 0.33
HTR1B P28222 1/20 0.33
HTR1E P28566 1/20 0.33

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
SCHEMBL2412128 0.93 MET (0.40) METFGFR4HTR6F2NFE2L2
SCHEMBL4420269 0.91 HTR6 (0.37) HTR6F2DRD2HTR7
SCHEMBL2409898 0.91 MET (0.38) METFGFR4HTR6F2NFE2L2
SCHEMBL2407588 0.90 MET (0.38) METF2TGFBR1
SCHEMBL5005965 0.89 MET (0.44) METFGFR4HTR6NFE2L2MMP2
SCHEMBL2409035 0.89 HTR2C (0.35) F2
SCHEMBL2415887 0.89 HTR2C (0.34) F2
SCHEMBL1831286 0.89 NFE2L2 (0.34) METHTR6NFE2L2MMP2MMP9
SCHEMBL2409254 0.89 F2 (0.34) F2LMNA
SCHEMBL2410115 0.88 RORC (0.38) HTR6

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