SCHEMBL17898137

SCHEMBL17898137

C[C@H](CN(C)C(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
HDAC6 Q9UBN7 2/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
GABRR1 P24046 2/20 0.32
BLM P54132 1/20 0.32
CYP1A2 P05177 1/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA7 P43166 1/20 0.32
HTR2C P28335 1/20 0.32
SLC6A4 P31645 1/20 0.32
CA14 Q9ULX7 2/20 0.30
CTSS P25774 1/20 0.30
CTSK P43235 1/20 0.30
CACNA1G O43497 1/20 0.30
CACNA1B Q00975 1/20 0.30
CACNA1C Q13936 1/20 0.30

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
SCHEMBL10473405 1.00 MEN1 (0.34) MEN1GAAKMT2AHDAC6HDAC1
SCHEMBL7997176 0.83 MEN1 (0.35) MEN1GAAKMT2AHDAC6HDAC1
SCHEMBL13490197 0.82 HDAC6 (0.36) HDAC6HDAC1HDAC2CA1CA2
SCHEMBL19902206 0.82 GABRR1 (0.38) MEN1GAAKMT2AHDAC6HDAC1
SCHEMBL17898136 0.82 CA14 (0.37) HDAC6HDAC1HDAC2CA1CA2
SCHEMBL23298281 0.82 SLC1A3 (0.35) MEN1GAAKMT2AHDAC6HDAC1
SCHEMBL15597145 0.82 CYP2D6 (0.33) MEN1GAAKMT2AHDAC6HDAC1
SCHEMBL17508161 0.82 CYP2D6 (0.33) MEN1GAAKMT2AHDAC6HDAC1
SCHEMBL17611613 0.82 SLC1A3 (0.35) MEN1GAAKMT2AHDAC6HDAC1
SCHEMBL17611614 0.82 SLC1A3 (0.35) MEN1GAAKMT2AHDAC6HDAC1

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
WO-2022234853-A1 CYCLIC COMPOUND HAVING INHIBITORY EFFECT SELECTIVE FOR KRAS BUT NOT FOR HRAS AND NRAS 中外製薬株式会社 2022-11-10 WO disclosed
US-20160194358-A1 LINEAR PEPTIDE ANTIBIOTCS RQX PHARMACEUTICALS, INC. 2016-07-07 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-20160194358-A1 LINEAR PEPTIDE ANTIBIOTCS ANPEP, NPEPPS, PEPD MEN1 4503/4885GAA 408/4885KMT2A 2779/4885

“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.