SCHEMBL6477398

SCHEMBL6477398

O=C(O)C(=Cc1ccc(OCCn2c(=O)sc3cc(C(=O)c4ccc(Cl)cc4)ccc32)cc1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARG P37231 10/20 0.56
SIGMAR1 Q99720 1/20 0.46
TP53 P04637 2/20 0.46
MAPT P10636 1/20 0.46
PPARA Q07869 13/20 0.45
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 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
SCHEMBL6477169 0.93 PPARG (0.64) PPARGSIGMAR1TP53PPARANPC1
SCHEMBL6484603 0.92 PPARG (0.55) PPARGSIGMAR1TP53MAPTPPARA
SCHEMBL6476453 0.91 PPARG (0.60) PPARGSIGMAR1TP53PPARANPC1
SCHEMBL6531209 0.90 PPARG (0.59) PPARGSIGMAR1TP53PPARANPC1
SCHEMBL5913753 0.88 PPARG (0.61) PPARGSIGMAR1TP53PPARANPC1
SCHEMBL5913749 0.88 PPARG (0.61) PPARGSIGMAR1TP53PPARANPC1
SCHEMBL6476460 0.88 PPARG (0.57) PPARGSIGMAR1TP53PPARANPC1
SCHEMBL6484848 0.88 PPARG (0.53) PPARGSIGMAR1TP53MAPTPPARA
SCHEMBL6476336 0.87 PPARG (0.47) PPARGTP53MAPTPPARANPC1
SCHEMBL6476342 0.87 PPARG (0.47) PPARGTP53MAPTPPARANPC1

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 PPARG 414/4885SIGMAR1 153/4885TP53 3596/4885

“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.