SCHEMBL6478309

SCHEMBL6478309

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

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.64
NPC1 O15118 7/20 0.64
SMN1; SMN2 Q16637 7/20 0.64
L3MBTL1 Q9Y468 7/20 0.64
TP53 P04637 2/20 0.64
LMNA P02545 1/20 0.61
ALDH1A1 P00352 3/20 0.60
TSHR P16473 3/20 0.60
MAPK1 P28482 2/20 0.60
TDP1 Q9NUW8 3/20 0.57
CYP3A4 P08684 3/20 0.57
CYP2D6 P10635 3/20 0.57
CYP2C19 P33261 3/20 0.57
HPGD P15428 1/20 0.57
CYP1A2 P05177 2/20 0.53
CYP2C9 P11712 2/20 0.53
NR1H4 Q96RI1 1/20 0.53
GAA P10253 1/20 0.50
PPARA Q07869 3/20 0.49
PPARG P37231 2/20 0.49

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
SCHEMBL6477610 0.95 L3MBTL1 (0.65) RAB9ANPC1SMN1; SMN2L3MBTL1TP53
SCHEMBL6477124 0.90 RAB9A (0.67) RAB9ANPC1SMN1; SMN2L3MBTL1TP53
SCHEMBL6487303 0.86 RAB9A (0.70) RAB9ANPC1SMN1; SMN2L3MBTL1TP53
SCHEMBL6477136 0.85 RAB9A (0.63) RAB9ANPC1SMN1; SMN2L3MBTL1TP53
SCHEMBL6476493 0.84 RAB9A (0.59) RAB9ANPC1SMN1; SMN2L3MBTL1TP53
SCHEMBL6476495 0.84 RAB9A (0.59) RAB9ANPC1SMN1; SMN2L3MBTL1TP53
SCHEMBL7019578 0.81 RAB9A (0.70) RAB9ANPC1SMN1; SMN2L3MBTL1TP53
SCHEMBL6475863 0.80 L3MBTL1 (0.57) RAB9ASMN1; SMN2L3MBTL1TP53LMNA
SCHEMBL6476021 0.79 RAB9A (0.76) RAB9ANPC1SMN1; SMN2L3MBTL1TP53
SCHEMBL6476253 0.79 NPC1 (0.65) RAB9ANPC1SMN1; 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 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.