SCHEMBL21110085

SCHEMBL21110085

CC(C)C(NC(=O)OCC(C)(C)C)C(=O)NC(C(=O)NC1CCONC(=O)C1=O)C(C)C

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HLA-DRB1 P01911 1/20 0.36
CTSK P43235 5/20 0.35
CTSS P25774 2/20 0.35
CTSB P07858 1/20 0.35
CTSL P07711 1/20 0.34
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
PSMB5 P28074 3/20 0.31
HPGD P15428 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
SCHEMBL21109104 0.98 CTSK (0.36) HLA-DRB1CTSKCTSSCTSBCTSL
SCHEMBL21109148 0.94 HLA-DRB1 (0.39) HLA-DRB1CTSKCTSSCTSBCTSL
SCHEMBL21109323 0.92 HLA-DRB1 (0.36) HLA-DRB1CTSKCTSSCTSBCTSL
SCHEMBL21109101 0.92 CTSK (0.42) CTSKCTSSCTSBCTSL
SCHEMBL21109078 0.90 ALDH1A1 (0.40) HLA-DRB1CTSKCTSSCTSBCTSL
SCHEMBL21110026 0.88 ALDH1A1 (0.41) HLA-DRB1CTSKCTSSCTSBCTSL
SCHEMBL21109315 0.86 CTSK (0.42) HLA-DRB1CTSKCTSSCTSBCTSL
SCHEMBL21109992 0.85 HLA-DRB1 (0.39) HLA-DRB1CTSKCTSSCTSBCTSL
SCHEMBL21110025 0.85 GAA (0.42) CTSKCTSSCTSBCTSL
SCHEMBL21109655 0.83 HLA-DRB1 (0.44) HLA-DRB1CTSKPSMB5

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 HLA-DRB1 4722/4885CTSK 566/4885CTSS 905/4885
US-10590084-B2 Cyclic keto-amide compounds as calpain modulators and methods of production and use thereof CAPN1, CAPN9, CAPN2 HLA-DRB1 4722/4885CTSK 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.