SCHEMBL5913680

SCHEMBL5913680

CC(C)(C)OC(=O)C(Cc1ccc(OCCn2c(=O)sc3cc(C(=O)c4ccccc4)ccc32)cc1)C(=O)O

nearest known ligand 0.79

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARG P37231 13/20 0.79
PPARA Q07869 15/20 0.51
SIGMAR1 Q99720 1/20 0.49
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
ALDH1A1 P00352 1/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
TP53 P04637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL5913369 0.91 PPARG (0.95) PPARGPPARASIGMAR1NPC1RAB9A
SCHEMBL6450149 0.91 PPARG (0.85) PPARGPPARASIGMAR1NPC1RAB9A
SCHEMBL5913710 0.91 PPARG (0.65) PPARGPPARANPC1RAB9ASMN1; SMN2
SCHEMBL5914099 0.89 PPARG (0.65) PPARGPPARA
SCHEMBL5913603 0.88 PPARG (1.00) PPARGPPARASIGMAR1NPC1RAB9A
SCHEMBL29496192 0.88 PPARG (1.00) PPARGPPARASIGMAR1NPC1RAB9A
SCHEMBL7021537 0.88 PPARG (0.81) PPARGPPARASIGMAR1NPC1RAB9A
SCHEMBL5727544 0.87 PPARG (0.69) PPARGPPARASIGMAR1
SCHEMBL5727326 0.87 PPARG (0.66) PPARGPPARASIGMAR1NPC1RAB9A
SCHEMBL6452002 0.87 PPARG (0.81) PPARGPPARASIGMAR1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060111407-A1 Association between a heterocyclic compound stimulating lipid and carbohydrate metabolisms and an antioxidant agent for treating obesity CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2006-05-25 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-20060111407-A1 Association between a heterocyclic compound stimulating lipid and carbohydrate metabolisms and an antioxidant agent for treating obesity PC, GPR119, LIPC PPARG 19/4885PPARA 44/4885SIGMAR1 1631/4885

“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.