SCHEMBL21110423

SCHEMBL21110423

CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H]1CCCCCCCN(C)C(=O)C1O

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSK P43235 8/20 0.56
CTSB P07858 4/20 0.56
CTSS P25774 2/20 0.56
CTSL P07711 3/20 0.49
ELANE P08246 1/20 0.47
CCR1 P32246 2/20 0.47
CAPN1 P07384 2/20 0.46
CASP1 P29466 1/20 0.46
CASP3 P42574 1/20 0.46
CASP7 P55210 1/20 0.46
CASP6 P55212 1/20 0.46
CASP8 Q14790 1/20 0.46
CYP2C19 P33261 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL21111184 0.96 CTSK (0.57) CTSKCTSBCTSSCTSLELANE
SCHEMBL19346051 0.83 HLA-DRB1 (0.52) CTSKCTSBCTSSCTSLCAPN1
SCHEMBL19345920 0.83 HLA-DRB1 (0.52) CTSKCTSBCTSSCTSLCAPN1
SCHEMBL21111192 0.83 CPB1 (0.49) CTSKCTSBCTSSCTSLCASP3
SCHEMBL19345918 0.81 CTSK (0.51) CTSKCTSBCTSSCTSLCAPN1
SCHEMBL19345744 0.81 CTSK (0.51) CTSKCTSBCTSSCTSLCAPN1
SCHEMBL8887934 0.80 ALDH1A1 (0.59) CTSKCTSBCTSSCTSLELANE
SCHEMBL19345780 0.79 CTSK (0.56) CTSKCTSBCTSSCTSLELANE
SCHEMBL19345783 0.79 CTSK (0.56) CTSKCTSBCTSSCTSLELANE
SCHEMBL19346022 0.79 CTSK (0.53) CTSKCTSBCTSSCTSLCAPN1

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 566/4885CTSB 479/4885CTSS 905/4885
US-10590084-B2 Cyclic keto-amide compounds as calpain modulators and methods of production and use thereof CAPN1, CAPN9, CAPN2 CTSK 566/4885CTSB 479/4885CTSS 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.