SCHEMBL2407582

SCHEMBL2407582

CC(C)(C)C(Cc1cn(S(=O)(=O)c2cccc(S(C)(=O)=O)c2)c(-c2cccnc2F)c1F)NC(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 1/20 0.38
PTGDR2 Q9Y5Y4 5/20 0.33
PDE4A P27815 4/20 0.33
PDE4B Q07343 3/20 0.33
PDE4C Q08493 3/20 0.33
PDE4D Q08499 3/20 0.33
PIP4K2A P48426 1/20 0.32
PIP4K2C Q8TBX8 1/20 0.32
PTGS2 P35354 2/20 0.32
CCKAR P32238 1/20 0.31
KCNH2 Q12809 1/20 0.31
MMP2 P08253 1/20 0.31
MMP9 P14780 1/20 0.31
MMP8 P22894 1/20 0.31
MMP13 P45452 1/20 0.31
HSP90AA1 P07900 1/20 0.30
GRM4 Q14833 1/20 0.30
CYP2C9 P11712 1/20 0.30
NAMPT P43490 1/20 0.30
MAPK1 P28482 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
SCHEMBL2411930 0.91 EPHX2 (0.33)
SCHEMBL2409033 0.91 PTGDR2 (0.32) PTGDR2CCKARGRM4
SCHEMBL2415885 0.91 ADAMTS4 (0.31) PTGDR2CCKAR
SCHEMBL2412351 0.90 MET (0.40) METPTGDR2MMP2MMP9MMP8
SCHEMBL2410113 0.89 APLNR (0.35) PTGDR2
SCHEMBL2411039 0.89 ABCC9 (0.34) MMP2MMP9MMP8MMP13CYP2C9
SCHEMBL2408487 0.88 HDAC3 (0.31)
SCHEMBL2409439 0.88 MMP2 (0.33) PTGDR2CCKARMMP2MMP9MMP8
SCHEMBL2194752 0.87 MMP2 (0.33) PTGDR2CCKARMMP2MMP9MMP8
SCHEMBL2192366 0.87 DCTPP1 (0.31) MMP2MMP9MMP8MMP13CYP2C9

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-2364979-A1 Pyrrole compounds Takeda Pharmaceutical Company Limited (JP) 2011-09-14 EP disclosed