SCHEMBL5094334

SCHEMBL5094334

C=CC[C@@H](CNC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.54
GAA P10253 1/20 0.54
KMT2A Q03164 1/20 0.54
GRIK1 P39086 2/20 0.40
GRIK2 Q13002 2/20 0.40
CPA1 P15085 1/20 0.39
AAK1 Q2M2I8 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
SYK P43405 1/20 0.38
CTSK P43235 5/20 0.37
CTSS P25774 3/20 0.37
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
MAPT P10636 1/20 0.36
SERPINE1 P05121 1/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34
MAOA P21397 1/20 0.34

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
SCHEMBL5094330 1.00 MEN1 (0.54) MEN1GAAKMT2AGRIK1GRIK2
SCHEMBL7275053 0.86 MEN1 (0.42) MEN1GAAKMT2AAAK1TDP1
SCHEMBL22034863 0.85 MEN1 (0.63) MEN1GAAKMT2AGRIK1GRIK2
SCHEMBL1274536 0.85 MEN1 (0.66) MEN1GAAKMT2AAAK1TDP1
SCHEMBL28763685 0.84 SMN1; SMN2 (0.44) MEN1GAAKMT2AAAK1TDP1
SCHEMBL6131636 0.82 MEN1 (0.42) MEN1GAAKMT2AAAK1TDP1
SCHEMBL590719 0.81 MEN1 (0.41) MEN1GAAKMT2AAAK1TDP1
SCHEMBL25955311 0.81 MEN1 (0.41) MEN1GAAKMT2AAAK1TDP1
SCHEMBL25407355 0.80 MEN1 (0.60) MEN1GAAKMT2AAAK1TDP1
SCHEMBL28560564 0.80 MEN1 (0.60) MEN1GAAKMT2AAAK1TDP1

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-3699173-A1 GEM-DISUBSTITUTED PYRROLIDINES, PIPERAZINES, AND DIAZEPANES, AND COMPOSITIONS AND METHODS OF MAKING THE SAME California Institute of Technology (US) 2020-08-26 EP disclosed
US-20080032985-A1 4-Substituted Quinoline Derivatives, Method and Intermediates for Their Preparation and Pharmaceutical Compositions Containing Them NOVEXEL (FR) 2008-02-07 US disclosed
EP-1763527-A1 4-SUBSTITUTED QUINOLINE DERIVATIVES, METHOD AND INTERMEDIATES FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME NOVEXEL (FR) 2007-03-21 EP disclosed
WO-2006010831-A1 4-SUBSTITUTED QUINOLINE DERIVATIVES, METHOD AND INTERMEDIATES FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME NOVEXEL (FR) 2006-02-02 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-20080032985-A1 4-Substituted Quinoline Derivatives, Method and Intermediates for Their Preparation and Pharmaceutical Compositions Containing Them CYP3A7, CYP3A4, CYP4B1 MEN1 1529/4885GAA 778/4885KMT2A 3191/4885

“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.