SCHEMBL6544763

SCHEMBL6544763

Cn1c(COc2ccc(CC3SC(=O)NC3=O)cc2)nc2ccc(Sc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)nc21

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARG P37231 8/20 0.62
ESRRA P11474 1/20 0.62
FFAR1 O14842 13/20 0.48
PPARA Q07869 6/20 0.48
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HRH3 Q9Y5N1 1/20 0.39

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
SCHEMBL6543658 0.87 PPARG (0.72) PPARGESRRAFFAR1PPARACYP3A4
SCHEMBL7834308 0.87 PPARG (0.67) PPARGESRRAFFAR1PPARA
Hydrochloric Acid SCHEMBL6544222 0.87 PPARG (0.71) PPARGESRRAFFAR1PPARACYP3A4
SCHEMBL3244895 0.84 PPARG (0.56) PPARGESRRAFFAR1PPARAMEN1
SCHEMBL6543730 0.82 PPARG (0.88) PPARGESRRAFFAR1PPARA
SCHEMBL6900078 0.81 PPARG (0.69) PPARGESRRAFFAR1PPARAMEN1
Hydrochloric Acid SCHEMBL6543596 0.81 PPARG (0.87) PPARGESRRAFFAR1PPARA
SCHEMBL3245551 0.80 PPARG (0.49) PPARGESRRAFFAR1PPARA
SCHEMBL6900101 0.79 PPARG (0.68) PPARGESRRAFFAR1PPARAMEN1
SCHEMBL1130791 0.78 PPARG (0.73) PPARGESRRAFFAR1PPARAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1022272-B1 SUBSTITUTED FUSED HETEROCYCLIC COMPOUNDS SANKYO CO (JP) 2004-05-26 EP claimed
US-6432993-B1 BENZIMIDAZOLE OR IMIDAZO(4,5-B)PYRIDINE DERIVATES; IMMUNOMODULATORS; ALDOSE REDUCTASE AND LIPOXYGENASE INHIBITORS; DIABETES; PREVENTS LIPID PEROXIDATION; ANTILIPEMIC, HYPOTENSIVE AGENTS SANKYO COMPANY, LIMITED (JP) 2002-08-13 US claimed
EP-0676398-B1 Heterocyclic compounds having anti-diabetic activity, their preparation and their use SANKYO CO (JP) 2001-10-24 EP claimed
EP-1022272-A1 SUBSTITUTED FUSED HETEROCYCLIC COMPOUNDS Sankyo Company Limited (JP) 2000-07-26 EP claimed
US-5977365-A HYPOGLYCEMIC AGENTS SANKYO COMPANY, LIMITED (JP) 1999-11-02 US claimed
EP-1022272-B1 SUBSTITUTED FUSED HETEROCYCLIC COMPOUNDS SANKYO CO (JP) 2004-05-26 EP disclosed
US-6432993-B1 BENZIMIDAZOLE OR IMIDAZO(4,5-B)PYRIDINE DERIVATES; IMMUNOMODULATORS; ALDOSE REDUCTASE AND LIPOXYGENASE INHIBITORS; DIABETES; PREVENTS LIPID PEROXIDATION; ANTILIPEMIC, HYPOTENSIVE AGENTS SANKYO COMPANY, LIMITED (JP) 2002-08-13 US disclosed
EP-1022272-A1 SUBSTITUTED FUSED HETEROCYCLIC COMPOUNDS Sankyo Company Limited (JP) 2000-07-26 EP disclosed