SCHEMBL26809376

SCHEMBL26809376

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

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
TDP1 Q9NUW8 2/20 0.48
MGAM O43451 1/20 0.35
GAA P10253 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31

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
SCHEMBL24084039 0.83 ALDH1A1 (0.46) ALDH1A1TDP1MGAMGAASI
SCHEMBL16058580 0.80 ADAMTS4 (0.41) ALDH1A1TDP1
SCHEMBL17169644 0.80 ADAMTS4 (0.41) ALDH1A1TDP1
SCHEMBL13108077 0.80 ADAMTS4 (0.41) ALDH1A1TDP1
SCHEMBL23784763 0.79 ALDH1A1 (0.42) ALDH1A1TDP1MGAMGAASI
SCHEMBL20342224 0.79 ALDH1A1 (0.42) ALDH1A1TDP1MGAMGAASI
Hydrochloric Acid SCHEMBL5419964 0.78 ADAMTS4 (0.40) ALDH1A1TDP1
SCHEMBL21365427 0.78 ECE1 (0.39)
SCHEMBL19729224 0.78 TDP1 (0.46) ALDH1A1TDP1
SCHEMBL14288628 0.78 ALDH1A1 (0.46) ALDH1A1TDP1CA1CA2CA7

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-20230374045-A1 AROMATIC BORON-CONTAINING COMPOUNDS AND RELATED INSULIN ANALOGS PROTOMER TECHNOLOGIES INC. 2023-11-23 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-20230374045-A1 AROMATIC BORON-CONTAINING COMPOUNDS AND RELATED INSULIN ANALOGS IAPP, GPR119, INSR ALDH1A1 4080/4885TDP1 2054/4885MGAM 1532/4885

“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.