SCHEMBL6477277

SCHEMBL6477277

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

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.58
SIGMAR1 Q99720 1/20 0.57
ALDH1A1 P00352 3/20 0.51
HPGD P15428 2/20 0.51
PPARA Q07869 4/20 0.47
RAB9A P51151 3/20 0.47
PPARD Q03181 2/20 0.47
TSHR P16473 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PLA2G4A P47712 1/20 0.45
MET P08581 1/20 0.43
LTA4H P09960 1/20 0.43
ASAH1 Q13510 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAPT P10636 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL6483665 0.92 PPARG (0.70) PPARGSIGMAR1ALDH1A1HPGDPPARA
SCHEMBL7028555 0.89 SIGMAR1 (0.57) PPARGSIGMAR1ALDH1A1HPGDPPARA
SCHEMBL6476311 0.86 SIGMAR1 (0.53) PPARGSIGMAR1ALDH1A1HPGDPPARA
SCHEMBL6477400 0.86 TSHR (0.62) PPARGALDH1A1HPGDPPARARAB9A
SCHEMBL6487606 0.84 SIGMAR1 (0.59) PPARGSIGMAR1ALDH1A1HPGDPPARA
SCHEMBL6484141 0.84 RAB9A (0.46) PPARGALDH1A1HPGDPPARARAB9A
SCHEMBL6476841 0.83 SIGMAR1 (0.56) PPARGSIGMAR1ALDH1A1HPGDRAB9A
SCHEMBL6477711 0.82 SIGMAR1 (0.56) PPARGSIGMAR1ALDH1A1HPGDRAB9A
SCHEMBL7023926 0.82 SIGMAR1 (0.56) PPARGSIGMAR1ALDH1A1HPGDRAB9A
SCHEMBL6450149 0.81 PPARG (0.85) PPARGSIGMAR1ALDH1A1PPARARAB9A

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-1252150-B1 HETEROCYCLIC DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SERVIER LAB (FR) 2003-06-04 EP 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
US-6919362-B2 Heterocyclic derivatives, preparation method and pharmaceutical compositions containing same LES LABORATOIRES SERVIER (FR) 2005-07-19 US 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 153/4885ALDH1A1 687/4885

“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.