SCHEMBL3782597

SCHEMBL3782597

CC(C)(C)N(C(=O)O)c1ccc(CCl)cn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 4/20 0.36
ALDH1A1 P00352 3/20 0.35
HCAR3 P49019 2/20 0.34
POLB P06746 1/20 0.34
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
LMNA P02545 2/20 0.32
KDM4E B2RXH2 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPT P10636 1/20 0.32
PKM P14618 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
NFKB1 P19838 1/20 0.32
THPO P40225 1/20 0.32
BLM P54132 1/20 0.32
PMP22 Q01453 1/20 0.32
HIF1A Q16665 1/20 0.32

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
SCHEMBL3513125 0.86 AOC3 (0.37) AOC3ALDH1A1HCAR3POLBMEN1
SCHEMBL480491 0.85 AOC3 (0.39) AOC3ALDH1A1HCAR3POLBMEN1
SCHEMBL2215212 0.85 AOC3 (0.36) AOC3ALDH1A1HCAR3POLBMEN1
SCHEMBL15049989 0.78 POLB (0.39) ALDH1A1POLBMEN1KMT2AL3MBTL1
SCHEMBL4923675 0.78 RAB9A (0.40) ALDH1A1HCAR3MEN1KMT2AKDM4E
SCHEMBL3514121 0.77 HCAR3 (0.35) ALDH1A1HCAR3POLBMEN1KMT2A
SCHEMBL29034266 0.76 GBA1 (0.46) ALDH1A1HCAR3MEN1KMT2AKDM4E
SCHEMBL15575141 0.76 HCAR3 (0.33) AOC3HCAR3POLBKMT2AKDM4E
SCHEMBL23630653 0.74 CYP2C9 (0.37) HCAR3MEN1KMT2AL3MBTL1LMNA
SCHEMBL15378607 0.73 FGFR4 (0.36) HCAR3GABRA1GABRG2GABRB3GABRA5

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-8309341-B2 2-mercaptocyclopentanecarboxylic acid compounds, a process for their preparation and pharmaceutical compositions containing them Les Laboratories Server (FR) 2012-11-13 US disclosed
US-20100330064-A1 2-mercaptocyclopentanecarboxylic acid compounds, a process for their preparation and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2010-12-30 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-20100330064-A1 2-mercaptocyclopentanecarboxylic acid compounds, a process for their preparation and pharmaceutical compositions containing them CYP2B6, CYP2A6, MC5R AOC3 1601/4885ALDH1A1 886/4885HCAR3 72/4885

“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.