SCHEMBL21110026

SCHEMBL21110026

CC(C)C(NC(=O)OCC(C)(C)C)C(=O)NC1CONC(=O)C1=O

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.39
CTSK P43235 9/20 0.35
CTSS P25774 4/20 0.35
CTSB P07858 1/20 0.35
CTSL P07711 2/20 0.33
HLA-DRB1 P01911 1/20 0.33
PSMB5 P28074 2/20 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
SCHEMBL21109078 0.98 ALDH1A1 (0.40) ALDH1A1POLBGAACTSKCTSS
SCHEMBL21110028 0.91 CTSK (0.41) ALDH1A1POLBGAACTSKCTSS
SCHEMBL21109104 0.90 CTSK (0.36) ALDH1A1POLBGAACTSKCTSS
SCHEMBL21109323 0.88 HLA-DRB1 (0.36) ALDH1A1POLBCTSKCTSSCTSB
SCHEMBL21110085 0.88 HLA-DRB1 (0.36) ALDH1A1POLBCTSKCTSSCTSB
SCHEMBL21109148 0.86 HLA-DRB1 (0.39) ALDH1A1POLBCTSKCTSSCTSB
SCHEMBL21110019 0.86 GAA (0.52) GAACTSKCTSSCTSBCTSL
SCHEMBL21109289 0.85 CTSK (0.45) ALDH1A1POLBCTSKCTSSCTSB
SCHEMBL21109644 0.84 CTSK (0.35) ALDH1A1POLBCTSKCTSSCTSB
SCHEMBL21110018 0.84 CTSL (0.35) CTSKCTSSCTSBCTSLHLA-DRB1

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-10590084-B2 Cyclic keto-amide compounds as calpain modulators and methods of production and use thereof BLADE THERAPEUTICS, INC. (US) 2020-03-17 US disclosed
US-20190194139-A1 CYCLIC KETO-AMIDE COMPOUNDS AS CALPAIN MODULATORS AND METHODS OF PRODUCTION AND USE THEREOF BLADE THERAPEUTICS, INC. (US) 2019-06-27 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 (2 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-20190194139-A1 CYCLIC KETO-AMIDE COMPOUNDS AS CALPAIN MODULATORS AND METHODS OF PRODUCTION AND USE THEREOF CAPN1, CAPN9, CAPN2 ALDH1A1 3594/4885POLB 2704/4885GAA 1581/4885
US-10590084-B2 Cyclic keto-amide compounds as calpain modulators and methods of production and use thereof CAPN1, CAPN9, CAPN2 ALDH1A1 3594/4885POLB 2704/4885GAA 1581/4885

“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.