SCHEMBL21110028

SCHEMBL21110028

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

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSK P43235 16/20 0.41
CTSL P07711 8/20 0.41
CTSS P25774 6/20 0.41
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
CTSB P07858 3/20 0.35
GAA P10253 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
SCHEMBL21109289 0.92 CTSK (0.45) CTSKCTSLCTSSALDH1A1POLB
SCHEMBL21110549 0.92 CTSK (0.39) CTSKCTSLCTSSALDH1A1POLB
SCHEMBL21109078 0.91 ALDH1A1 (0.40) CTSKCTSLCTSSALDH1A1POLB
SCHEMBL21110026 0.91 ALDH1A1 (0.41) CTSKCTSLCTSSALDH1A1POLB
SCHEMBL21109101 0.91 CTSK (0.42) CTSKCTSLCTSSCTSB
SCHEMBL21109315 0.89 CTSK (0.42) CTSKCTSLCTSSCTSB
SCHEMBL21109682 0.87 CTSK (0.42) CTSKCTSLCTSSCTSB
SCHEMBL21110014 0.87 CTSK (0.41) CTSKCTSLCTSSCTSB
SCHEMBL21110010 0.85 CTSK (0.41) CTSKCTSLCTSSCTSB
SCHEMBL21109089 0.85 CTSK (0.39) CTSKCTSLCTSSCTSB

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 CTSK 566/4885CTSL 1363/4885CTSS 905/4885
US-10590084-B2 Cyclic keto-amide compounds as calpain modulators and methods of production and use thereof CAPN1, CAPN9, CAPN2 CTSK 566/4885CTSL 1363/4885CTSS 905/4885

“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.