SCHEMBL10037299

SCHEMBL10037299

CC(C)(C)C(=O)[C@H](N)CC(N)=O

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 3/20 0.34
ALOX15 P16050 1/20 0.33
BLM P54132 1/20 0.33
PMP22 Q01453 1/20 0.33
KMT2A Q03164 1/20 0.33
ECE1 P42892 1/20 0.32
CPT2 P23786 1/20 0.30
CPT1A P50416 1/20 0.30
GRIK2 Q13002 1/20 0.30
DPP9 Q86TI2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
PTGS1 P23219 1/20 0.30
SLC7A5 Q01650 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
SCHEMBL26778046 1.00 GRIK1 (0.34) GRIK1ALOX15BLMPMP22KMT2A
SCHEMBL10037286 1.00 GRIK1 (0.34) GRIK1ALOX15BLMPMP22KMT2A
SCHEMBL26754222 0.81 GRIK1 (0.34) GRIK1CPT2CPT1AGRIK2ALDH1A1
SCHEMBL12420389 0.81 GRIK1 (0.38) GRIK1GRIK2ALDH1A1MAPTPTGS1
SCHEMBL12420355 0.81 ALDH1A1 (0.40) GRIK1CPT2CPT1AGRIK2ALDH1A1
SCHEMBL18116107 0.81 GRIK1 (0.38) GRIK1GRIK2ALDH1A1MAPTPTGS1
SCHEMBL16602077 0.77 GRIK1 (0.39) GRIK1GRIK2ALDH1A1MAPTPTGS1
Asparagine SCHEMBL9394751 0.77 GRIK1 (0.48) GRIK1ALOX15BLMPMP22KMT2A
SCHEMBL15745581 0.77 ALOX15 (0.56) GRIK1ALOX15BLMPMP22KMT2A
Asparagine SCHEMBL9394745 0.77 GRIK1 (0.48) GRIK1ALOX15BLMPMP22KMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120077711-A1 Novel Ligands and Libraries of Ligands SUNESIS PHARMACEUTICALS, INC. (US) 2012-03-29 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-20120077711-A1 Novel Ligands and Libraries of Ligands LSS, ABCG2, SELL GRIK1 1932/4885ALOX15 1090/4885BLM 3996/4885

“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.