SCHEMBL6450149

SCHEMBL6450149

O=C(c1ccccc1)c1ccc2c(c1)sc(=O)n2CCOc1ccc(CC(C(=O)O)C(=O)O)cc1

nearest known ligand 0.85

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARG P37231 12/20 0.85
SIGMAR1 Q99720 1/20 0.56
PPARA Q07869 14/20 0.55
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
ALDH1A1 P00352 1/20 0.52
TSHR P16473 1/20 0.52
MAPK1 P28482 1/20 0.52
TP53 P04637 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
LMNA P02545 1/20 0.48
PPARD Q03181 1/20 0.47

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
SCHEMBL6477885 0.95 PPARG (0.78) PPARGSIGMAR1PPARANPC1RAB9A
SCHEMBL7021537 0.95 PPARG (0.81) PPARGSIGMAR1PPARANPC1RAB9A
SCHEMBL6478461 0.94 PPARG (0.75) PPARGSIGMAR1PPARANPC1RAB9A
SCHEMBL5913369 0.93 PPARG (0.95) PPARGSIGMAR1PPARANPC1RAB9A
SCHEMBL5727831 0.93 PPARG (0.76) PPARGSIGMAR1PPARANPC1RAB9A
SCHEMBL6476692 0.93 PPARG (0.73) PPARGSIGMAR1PPARANPC1RAB9A
SCHEMBL6485289 0.93 PPARG (0.79) PPARGSIGMAR1PPARANPC1RAB9A
SCHEMBL6452002 0.92 PPARG (0.81) PPARGSIGMAR1PPARANPC1RAB9A
SCHEMBL6476028 0.92 PPARG (0.73) PPARGSIGMAR1PPARANPC1RAB9A
SCHEMBL5913603 0.92 PPARG (1.00) PPARGSIGMAR1PPARANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1560598-A1 ASSOCIATION BETWEEN A HETEROCYCLIC COMPOUND STIMULATING LIPID AND CARBOHYDRATE METABOLISMS AND AN ANTIOXIDANT AGENT FOR TREATING OBESITY Les Laboratoires Servier (FR) 2005-08-10 EP claimed
WO-2004032968-A1 ASSOCIATION BETWEEN A HETEROCYCLIC COMPOUND STIMULATING LIPID AND CARBOHYDRATE METABOLISMS AND AN ANTIOXIDANT AGENT FOR TREATING OBESITY LES LABORATOIRES SERVIER (FR) 2004-04-22 WO claimed
EP-1252150-B1 HETEROCYCLIC DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SERVIER LAB (FR) 2003-06-04 EP claimed
US-20030040533-A1 Novel heterocyclic derivatives, preparation method and pharmaceutical compositions containing same LES LABORATOIRES SERVIER (FR) 2003-02-27 US claimed
EP-1252150-A1 NOVEL HETEROCYCLIC DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME Les Laboratoires Servier (FR) 2002-10-30 EP claimed
WO-2001057002-A1 NOVEL HETEROCYCLIC DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME LES LABORATOIRES SERVIER (FR) 2001-08-09 WO claimed
EP-1560598-A1 ASSOCIATION BETWEEN A HETEROCYCLIC COMPOUND STIMULATING LIPID AND CARBOHYDRATE METABOLISMS AND AN ANTIOXIDANT AGENT FOR TREATING OBESITY Les Laboratoires Servier (FR) 2005-08-10 EP disclosed
US-6919362-B2 Heterocyclic derivatives, preparation method and pharmaceutical compositions containing same LES LABORATOIRES SERVIER (FR) 2005-07-19 US disclosed
WO-2004032968-A1 ASSOCIATION BETWEEN A HETEROCYCLIC COMPOUND STIMULATING LIPID AND CARBOHYDRATE METABOLISMS AND AN ANTIOXIDANT AGENT FOR TREATING OBESITY LES LABORATOIRES SERVIER (FR) 2004-04-22 WO disclosed
EP-1252150-B1 HETEROCYCLIC DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SERVIER LAB (FR) 2003-06-04 EP disclosed
US-20030040533-A1 Novel heterocyclic derivatives, preparation method and pharmaceutical compositions containing same LES LABORATOIRES SERVIER (FR) 2003-02-27 US disclosed
EP-1252150-A1 NOVEL HETEROCYCLIC DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME Les Laboratoires Servier (FR) 2002-10-30 EP disclosed
WO-2001057002-A1 NOVEL HETEROCYCLIC DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME LES LABORATOIRES SERVIER (FR) 2001-08-09 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030040533-A1 Novel heterocyclic derivatives, preparation method and pharmaceutical compositions containing same CYP2F1, CYP11B2, CYP4B1 PPARG 414/4885SIGMAR1 153/4885PPARA 845/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.