SCHEMBL6484845

SCHEMBL6484845

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

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.71
NPC1 O15118 5/20 0.71
SMN1; SMN2 Q16637 5/20 0.71
TSHR P16473 3/20 0.71
MAPK1 P28482 2/20 0.71
ALDH1A1 P00352 2/20 0.71
L3MBTL1 Q9Y468 7/20 0.65
TP53 P04637 2/20 0.65
LMNA P02545 1/20 0.65
PPARG P37231 4/20 0.63
CYP3A4 P08684 2/20 0.62
CYP2D6 P10635 2/20 0.62
CYP2C19 P33261 2/20 0.62
CYP1A2 P05177 1/20 0.62
CYP2C9 P11712 1/20 0.62
TDP1 Q9NUW8 2/20 0.58
HPGD P15428 1/20 0.58
HTT P42858 1/20 0.53
GAA P10253 1/20 0.53
PPARA Q07869 4/20 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
SCHEMBL6486368 0.94 RAB9A (0.72) RAB9ANPC1SMN1; SMN2TSHRMAPK1
SCHEMBL6475685 0.92 PPARG (0.73) RAB9ANPC1SMN1; SMN2TSHRMAPK1
SCHEMBL6476972 0.91 NPC1 (0.63) RAB9ANPC1SMN1; SMN2TSHRMAPK1
SCHEMBL6488473 0.89 PPARG (0.75) RAB9ANPC1SMN1; SMN2TSHRMAPK1
SCHEMBL6476253 0.88 NPC1 (0.65) RAB9ANPC1SMN1; SMN2TSHRMAPK1
SCHEMBL6476966 0.88 PPARG (0.59) RAB9ANPC1SMN1; SMN2TSHRMAPK1
SCHEMBL6486575 0.87 PPARG (0.65) RAB9ANPC1SMN1; SMN2TSHRMAPK1
SCHEMBL6486442 0.86 RAB9A (0.71) RAB9ANPC1SMN1; SMN2TSHRMAPK1
SCHEMBL6450149 0.86 PPARG (0.85) RAB9ANPC1SMN1; SMN2TSHRMAPK1
SCHEMBL6476961 0.86 PPARG (0.60) RAB9ANPC1SMN1; SMN2TSHRMAPK1

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 9 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
EP-1252150-A1 NOVEL HETEROCYCLIC DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME Les Laboratoires Servier (FR) 2002-10-30 EP claimed
WO-2001057002-A1 NOVEL HETEROCYCLIC DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME LES LABORATOIRES SERVIER (FR) 2001-08-09 WO claimed
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
EP-1252150-A1 NOVEL HETEROCYCLIC DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME Les Laboratoires Servier (FR) 2002-10-30 EP disclosed
WO-2001057002-A1 NOVEL HETEROCYCLIC DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME LES LABORATOIRES SERVIER (FR) 2001-08-09 WO 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 RAB9A 3361/4885NPC1 1716/4885SMN1; 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.