SCHEMBL21110557

SCHEMBL21110557

CC(C)C(NC(=O)OCc1ccccc1)C(=O)NC1CNC(=O)C1=O

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSL P07711 6/20 0.58
CTSK P43235 8/20 0.55
CTSS P25774 4/20 0.55
CTSB P07858 2/20 0.55
CASP1 P29466 2/20 0.49
CASP3 P42574 2/20 0.49
CASP7 P55210 2/20 0.49
CASP6 P55212 2/20 0.49
CASP8 Q14790 2/20 0.49
CCR1 P32246 1/20 0.48
NAAA Q02083 1/20 0.47
CASP9 P55211 1/20 0.47

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
SCHEMBL21110017 0.91 CTSK (0.63) CTSLCTSKCTSSCTSB
SCHEMBL21110027 0.90 CTSK (0.54) CTSLCTSKCTSSCTSBCASP1
SCHEMBL19345781 0.90 CTSK (0.54) CTSLCTSKCTSSCTSBCASP1
SCHEMBL21110555 0.90 CTSK (0.54) CTSLCTSKCTSSCTSBCASP1
SCHEMBL21109818 0.89 CTSK (0.49) CTSLCTSKCTSSCTSBCASP1
SCHEMBL19345776 0.88 CTSK (0.55) CTSLCTSKCTSSCTSBCASP1
SCHEMBL21109280 0.88 CTSK (0.55) CTSLCTSKCTSSCTSBCASP1
SCHEMBL19345743 0.88 CTSK (0.55) CTSLCTSKCTSSCTSBCASP1
SCHEMBL21110564 0.87 HLA-DRB1 (0.55) CTSLCTSKCTSSCTSBCASP1
SCHEMBL21109625 0.87 CTSK (0.50) CTSLCTSKCTSSCTSBCASP1

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