SCHEMBL6476836

SCHEMBL6476836

O=C(O)C(=Cc1ccc(OCCn2c(=O)sc3cc(C=Cc4ccccc4)ccc32)cc1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 13/20 0.56
PPARG P37231 10/20 0.56
NPC1 O15118 5/20 0.53
RAB9A P51151 5/20 0.53
SMN1; SMN2 Q16637 5/20 0.53
ALDH1A1 P00352 1/20 0.53
TSHR P16473 1/20 0.53
MAPK1 P28482 1/20 0.53
L3MBTL1 Q9Y468 4/20 0.49
TP53 P04637 1/20 0.49
LMNA P02545 1/20 0.49
CYP3A4 P08684 2/20 0.47
CYP2D6 P10635 2/20 0.47
CYP2C19 P33261 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
HPGD P15428 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL6476834 1.00 PPARA (0.56) PPARAPPARGNPC1RAB9ASMN1; SMN2
SCHEMBL6487303 0.88 RAB9A (0.70) PPARGNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL6477169 0.87 PPARG (0.64) PPARAPPARGNPC1RAB9ASMN1; SMN2
SCHEMBL6476750 0.85 PPARA (0.68) PPARAPPARGNPC1RAB9ASMN1; SMN2
SCHEMBL6476754 0.85 PPARA (0.68) PPARAPPARGNPC1RAB9ASMN1; SMN2
SCHEMBL6476460 0.84 PPARG (0.57) PPARAPPARGNPC1RAB9ASMN1; SMN2
SCHEMBL6531209 0.84 PPARG (0.59) PPARAPPARGNPC1RAB9ASMN1; SMN2
SCHEMBL6476329 0.83 MAPT (0.50) PPARAPPARGNPC1RAB9ASMN1; SMN2
SCHEMBL6475893 0.83 PPARG (0.52) PPARAPPARGNPC1RAB9ASMN1; SMN2
SCHEMBL7019578 0.83 RAB9A (0.70) NPC1RAB9ASMN1; SMN2ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 PPARA 845/4885PPARG 414/4885NPC1 1716/4885

“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.