SCHEMBL6475685

SCHEMBL6475685

COC(=O)C(Cc1ccc(OCCn2c(=O)sc3ccccc32)cc1)C(=O)O

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.73
SMN1; SMN2 Q16637 6/20 0.64
NPC1 O15118 5/20 0.64
RAB9A P51151 5/20 0.64
LMNA P02545 1/20 0.64
TSHR P16473 2/20 0.63
ALDH1A1 P00352 2/20 0.63
MAPK1 P28482 2/20 0.63
L3MBTL1 Q9Y468 5/20 0.61
TP53 P04637 2/20 0.61
CYP3A4 P08684 2/20 0.56
CYP2D6 P10635 2/20 0.56
CYP2C19 P33261 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2C9 P11712 1/20 0.56
PPARA Q07869 6/20 0.55
PPARD Q03181 2/20 0.55
TDP1 Q9NUW8 2/20 0.54
HPGD P15428 1/20 0.54
GAA P10253 2/20 0.53

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
SCHEMBL6488473 0.96 PPARG (0.75) PPARGSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL6484845 0.92 RAB9A (0.71) PPARGSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL6476972 0.91 NPC1 (0.63) PPARGSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL6486022 0.90 PPARG (0.67) PPARGSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL6476966 0.89 PPARG (0.59) PPARGSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL5913369 0.87 PPARG (0.95) PPARGSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL6476253 0.87 NPC1 (0.65) PPARGSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL6486368 0.86 RAB9A (0.72) PPARGSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL6477333 0.86 PPARG (0.78) PPARGSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL5913759 0.84 PPARG (0.78) PPARGSMN1; SMN2NPC1RAB9ALMNA

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 4 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
US-20030040533-A1 Novel heterocyclic derivatives, preparation method and pharmaceutical compositions containing same LES LABORATOIRES SERVIER (FR) 2003-02-27 US claimed
US-6919362-B2 Heterocyclic derivatives, preparation method and pharmaceutical compositions containing same LES LABORATOIRES SERVIER (FR) 2005-07-19 US 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 414/4885SMN1; SMN2 1823/4885NPC1 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.