SCHEMBL4729460

SCHEMBL4729460

CC(C)(C)OC(=O)NCCC(Cc1ccccc1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.58
GAA P10253 1/20 0.58
KMT2A Q03164 1/20 0.58
IDO1 P14902 1/20 0.52
FOLH1 Q04609 1/20 0.51
CTSS P25774 4/20 0.51
CTSK P43235 4/20 0.51
CTSL P07711 1/20 0.51
CTSB P07858 1/20 0.51
ATM Q13315 1/20 0.50
CPA3 P15088 1/20 0.50
CYP1A2 P05177 1/20 0.50
ACE P12821 1/20 0.49
SLC1A3 P43003 1/20 0.49
SLC1A1 P43005 1/20 0.49
AKT1 P31749 1/20 0.47
SYK P43405 1/20 0.47
MALT1 Q9UDY8 1/20 0.46
PAX8 Q06710 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL9074865 0.93 MEN1 (0.69) MEN1GAAKMT2AIDO1FOLH1
SCHEMBL24003388 0.93 MEN1 (0.69) MEN1GAAKMT2AIDO1FOLH1
SCHEMBL9074547 0.91 MEN1 (0.62) MEN1GAAKMT2AIDO1FOLH1
SCHEMBL2800560 0.90 MEN1 (0.56) MEN1GAAKMT2AIDO1FOLH1
SCHEMBL3668701 0.88 GAA (0.55) MEN1GAAKMT2AIDO1CTSS
SCHEMBL21903159 0.86 IDO1 (0.50) MEN1GAAKMT2AIDO1CTSS
SCHEMBL1186455 0.86 ATM (0.55) MEN1GAAKMT2AIDO1FOLH1
SCHEMBL3825012 0.86 ATM (0.55) MEN1GAAKMT2AIDO1FOLH1
SCHEMBL825959 0.86 ATM (0.55) MEN1GAAKMT2AIDO1FOLH1
SCHEMBL12452003 0.84 IDO1 (0.52) MEN1GAAKMT2AIDO1CTSS

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-20080242694-A1 Amino-substituted heterocycles, compositions thereof, and methods of treatment therewith D SIDOCKY NEIL R 2008-10-02 US disclosed
WO-2008036308-A2 AMINO-SUBSTITUTED HETEROCYCLES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC (US) 2008-03-27 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-20080242694-A1 Amino-substituted heterocycles, compositions thereof, and methods of treatment therewith JAK2, CHEK2, MTOR MEN1 2376/4885GAA 2251/4885KMT2A 758/4885

“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.