SCHEMBL6475893

SCHEMBL6475893

O=C(O)C(=Cc1ccc(OCCn2c(=O)sc3cc(C(=O)Nc4ccccc4)ccc32)cc1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARG P37231 9/20 0.52
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
ALDH1A1 P00352 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
TP53 P04637 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
LMNA P02545 1/20 0.45
PPARA Q07869 12/20 0.44
MAPT P10636 2/20 0.44
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
SIGMAR1 Q99720 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
SCHEMBL6476329 0.91 MAPT (0.50) PPARGNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL6477169 0.87 PPARG (0.64) PPARGNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL6531209 0.85 PPARG (0.59) PPARGNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL6476460 0.85 PPARG (0.57) PPARGNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL6476836 0.83 PPARA (0.56) PPARGNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL6476834 0.83 PPARA (0.56) PPARGNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL6486494 0.83 PPARG (0.69) PPARGNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL5913749 0.83 PPARG (0.61) PPARGNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL5913753 0.83 PPARG (0.61) PPARGNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL6487303 0.83 RAB9A (0.70) PPARGNPC1RAB9ASMN1; SMN2ALDH1A1

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
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 414/4885NPC1 1716/4885RAB9A 3361/4885

“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.