SCHEMBL6476326

SCHEMBL6476326

CON=C(c1ccc(-c2ccccc2)cc1)c1ccc2c(c1)sc(=O)n2CCOc1ccc(C=C(C(=O)O)C(=O)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARG P37231 10/20 0.50
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
LMNA P02545 1/20 0.45
PPARA Q07869 13/20 0.44
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
TP53 P04637 1/20 0.43
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
SIGMAR1 Q99720 1/20 0.40

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
SCHEMBL6476322 1.00 PPARG (0.50) PPARGNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL6476336 0.91 PPARG (0.47) PPARGNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL6476342 0.91 PPARG (0.47) PPARGNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL6477106 0.89 PPARG (0.49) PPARGNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL6477102 0.89 PPARG (0.49) PPARGNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL6477448 0.88 PPARG (0.48) PPARGNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL6477453 0.88 PPARG (0.48) PPARGNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL6531209 0.88 PPARG (0.59) PPARGNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL6486611 0.85 PPARG (0.65) PPARGNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL6486618 0.85 PPARG (0.65) PPARGNPC1RAB9ASMN1; SMN2LMNA

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 2 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
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 414/4885NPC1 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.