SCHEMBL21110019

SCHEMBL21110019

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

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.52
CTSK P43235 2/20 0.43
CTSS P25774 1/20 0.43
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
ATM Q13315 1/20 0.37
CA2 P00918 1/20 0.36
PREP P48147 1/20 0.36
TRPA1 O75762 1/20 0.35
CTSL P07711 1/20 0.35
CTSB P07858 1/20 0.35
SCN9A Q15858 2/20 0.35

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
SCHEMBL21110025 0.89 GAA (0.42) GAACTSKCTSSMEN1KMT2A
SCHEMBL21109103 0.87 GAA (0.40) GAACTSKCTSSMEN1KMT2A
SCHEMBL21110026 0.86 ALDH1A1 (0.41) GAACTSKCTSSCTSLCTSB
SCHEMBL21109078 0.84 ALDH1A1 (0.40) GAACTSKCTSSCTSLCTSB
SCHEMBL21109646 0.83 GAA (0.40) GAACTSKCTSSMEN1KMT2A
SCHEMBL21109963 0.82 CTSK (0.45) GAACTSKCTSSMEN1KMT2A
SCHEMBL21109593 0.81 CTSK (0.43) GAACTSKCTSSMEN1KMT2A
SCHEMBL21110560 0.81 CTSK (0.43) GAACTSKCTSSMEN1KMT2A
SCHEMBL21109328 0.79 CTSK (0.42) GAACTSKCTSSMEN1KMT2A
SCHEMBL21109317 0.78 PSMB5 (0.44) CTSKCTSS

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 GAA 1581/4885CTSK 566/4885CTSS 905/4885
US-10590084-B2 Cyclic keto-amide compounds as calpain modulators and methods of production and use thereof CAPN1, CAPN9, CAPN2 GAA 1581/4885CTSK 566/4885CTSS 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.