SCHEMBL8529462

SCHEMBL8529462

CCc1c(C(=O)O)ccc(-c2ccccc2)c1S(C)(=O)=O

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.40
PTGS2 P35354 4/20 0.39
HNF4A P41235 1/20 0.38
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.37
PTPN1 P18031 3/20 0.37
PTPN2 P17706 1/20 0.37
PTPN6 P29350 1/20 0.37
FABP3 P05413 1/20 0.36
FABP4 P15090 1/20 0.36
FABP5 Q01469 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CA12 O43570 1/20 0.35
CA9 Q16790 1/20 0.35

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
SCHEMBL8533248 0.87 FOLH1 (0.39) FOLH1HNF4AMAPTPKMMAPK1
SCHEMBL27346968 0.85 PTGS2 (0.35) FOLH1PTGS2SMN1; SMN2PTGDR2
SCHEMBL8529748 0.83 SLC9A1 (0.43)
SCHEMBL8529538 0.79 PTGS2 (0.41) FOLH1PTGS2HNF4AMAPTPTPN1
SCHEMBL28379211 0.78 HNF4A (0.46) FOLH1HNF4AMAPTPKMMAPK1
SCHEMBL8533097 0.76 PTGS2 (0.38) PTGS2SMN1; SMN2
SCHEMBL8533251 0.75 KDM4E (0.47) FOLH1PTGS2HNF4ASMN1; SMN2ALDH1A1
SCHEMBL8529625 0.75 PTGS2 (0.38) FOLH1PTGS2HNF4AMAPTMAPK1
SCHEMBL29492888 0.75 FOLH1 (0.44) FOLH1HNF4AMAPTPKMMAPK1
SCHEMBL10984209 0.74 HNF4A (0.58) FOLH1HNF4AMAPTSMN1; SMN2FABP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1055919-C Arylbenzoylguanidin MERCK PATENT GMBH (DE) 2000-08-30 CN disclosed
EP-0699660-B1 Arylbenzoylguanidines MERCK PATENT GMBH (DE) 1998-10-28 EP disclosed
US-5807896-A Arylbenzoylguanidines MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTING (DE) 1998-09-15 US disclosed
EP-0699660-A2 Arylbenzoylguanidines MERCK PATENT GmbH (DE) 1996-03-06 EP disclosed
CN-1117962-A Arylbenzoylguanidin MERCK PATENT GMBH (DE) 1996-03-06 CN disclosed