SCHEMBL6476972

SCHEMBL6476972

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

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.63
RAB9A P51151 5/20 0.63
SMN1; SMN2 Q16637 5/20 0.63
L3MBTL1 Q9Y468 5/20 0.63
TP53 P04637 2/20 0.63
ALDH1A1 P00352 2/20 0.61
TSHR P16473 1/20 0.61
MAPK1 P28482 1/20 0.61
PPARG P37231 7/20 0.61
LMNA P02545 1/20 0.60
CYP3A4 P08684 2/20 0.56
CYP2D6 P10635 2/20 0.56
CYP2C19 P33261 2/20 0.56
TDP1 Q9NUW8 2/20 0.56
HPGD P15428 1/20 0.56
PPARA Q07869 8/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2C9 P11712 1/20 0.55
PPARD Q03181 1/20 0.52

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
SCHEMBL6476253 0.96 NPC1 (0.65) NPC1RAB9ASMN1; SMN2L3MBTL1TP53
SCHEMBL6475685 0.91 PPARG (0.73) NPC1RAB9ASMN1; SMN2L3MBTL1TP53
SCHEMBL6475901 0.91 L3MBTL1 (0.66) NPC1RAB9ASMN1; SMN2L3MBTL1TP53
SCHEMBL6484845 0.91 RAB9A (0.71) NPC1RAB9ASMN1; SMN2L3MBTL1TP53
SCHEMBL6476966 0.90 PPARG (0.59) NPC1RAB9ASMN1; SMN2L3MBTL1TP53
SCHEMBL6488473 0.87 PPARG (0.75) NPC1RAB9ASMN1; SMN2L3MBTL1TP53
SCHEMBL6486368 0.86 RAB9A (0.72) NPC1RAB9ASMN1; SMN2L3MBTL1TP53
SCHEMBL6476961 0.85 PPARG (0.60) NPC1RAB9ASMN1; SMN2L3MBTL1TP53
SCHEMBL6477419 0.82 PPARG (0.79) NPC1RAB9ASMN1; SMN2L3MBTL1TP53
SCHEMBL6486022 0.81 PPARG (0.67) NPC1RAB9ASMN1; SMN2L3MBTL1TP53

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 NPC1 1716/4885RAB9A 3361/4885SMN1; SMN2 1823/4885

“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.