SCHEMBL4422719

SCHEMBL4422719

CC(C)(C)C(Cc1cc(Br)n(S(=O)(=O)c2cccnc2)c1)NC(=O)O.Cc1ccc(-c2cc(CC(NC(=O)O)C(C)(C)C)cn2S(=O)(=O)c2cccnc2)c(F)n1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.33
FPR1 P21462 1/20 0.31
ADAM17 P78536 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL2411599 0.95 PTGDR2 (0.34) PTGDR2FPR1ADAM17HSD17B10
SCHEMBL4422713 0.92
SCHEMBL4792897 0.89 PTGDR2 (0.33) PTGDR2FPR1ADAM17HSD17B10
SCHEMBL1156754 0.87 HSD17B10 (0.38) FPR1ADAM17HSD17B10
SCHEMBL4791521 0.86 NAMPT (0.36) PTGDR2FPR1
SCHEMBL1278109 0.86 FPR1 (0.34) PTGDR2FPR1HSD17B10
Carbamic Acid SCHEMBL4791644 0.86 HSD17B10 (0.36) FPR1ADAM17HSD17B10
SCHEMBL4791390 0.85 HSD17B10 (0.31) PTGDR2ADAM17HSD17B10
SCHEMBL4789904 0.85 MMP1 (0.36) ADAM17
SCHEMBL1156935 0.84 POLB (0.39) PTGDR2FPR1HSD17B10

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-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