SCHEMBL12371558

SCHEMBL12371558

CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)SCC(=O)N1CCc2ccccc2C1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSL P07711 5/20 0.49
CTSK P43235 2/20 0.47
KLK5 Q9Y337 1/20 0.45
CTSS P25774 1/20 0.42
KLK7 P49862 1/20 0.41
CA2 P00918 1/20 0.41
TDP1 Q9NUW8 2/20 0.40
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
DPP8 Q6V1X1 1/20 0.39
DPP9 Q86TI2 1/20 0.39

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
SCHEMBL12371567 0.84 CTSK (0.50) CTSLCTSKCTSSTDP1ALDH1A1
SCHEMBL12370542 0.84 CTSL (0.69) CTSLCTSKKLK5CTSSKLK7
SCHEMBL12371562 0.81 CTSL (0.50) CTSLCTSKKMT2ADPP8DPP9
SCHEMBL18540645 0.81 CTSL (0.75) CTSLCTSKKLK5CTSSMAPT
SCHEMBL13619474 0.74 CTSL (0.76) CTSLCTSKKLK5CTSSKLK7
SCHEMBL12372025 0.72 CTSL (0.71) CTSLCTSKTDP1ALDH1A1MAPT
SCHEMBL23834171 0.71 CTSK (0.48) CTSK
SCHEMBL23834169 0.71 CTSK (0.48) CTSK
SCHEMBL23834366 0.71 RIPK1 (0.47) CTSKTDP1DPP8DPP9
SCHEMBL23834368 0.71 RIPK1 (0.47) CTSKTDP1DPP8DPP9

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-20110207726-A1 Inhibitors of Human Cathepsin L, Cathepsin B, and Cathepsin S THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA 2011-08-25 US disclosed
WO-2009136997-A2 INHIBITORS OF HUMAN CATHEPSIN L, CATHEPSIN B, AND CATHEPSIN S THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2009-11-12 WO 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 (1 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-20110207726-A1 Inhibitors of Human Cathepsin L, Cathepsin B, and Cathepsin S CTSB, CTSS, CTSV CTSL 7/4885CTSK 11/4885KLK5 352/4885

“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.