SCHEMBL12370542

SCHEMBL12370542

CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)SCC(=O)N1CCCc2ccccc21

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSL P07711 6/20 0.69
CTSK P43235 3/20 0.48
CTSB P07858 1/20 0.42
KLK5 Q9Y337 1/20 0.42
CTSS P25774 1/20 0.41
MAPT P10636 2/20 0.40
GAA P10253 1/20 0.40
PKM P14618 1/20 0.40
KLK7 P49862 1/20 0.40
MAPK1 P28482 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 1/20 0.40
TSHR P16473 1/20 0.40
CA2 P00918 1/20 0.40
GRM7 Q14831 2/20 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
SCHEMBL12372025 0.89 CTSL (0.71) CTSLCTSKCTSBMAPTGAA
SCHEMBL12372031 0.87 CTSL (0.58) CTSLCTSKCTSBMAPTGAA
SCHEMBL12370558 0.87 CTSL (0.68) CTSLCTSKCTSBMAPTGAA
SCHEMBL12370550 0.85 CTSL (0.66) CTSLCTSKCTSBMAPTGAA
SCHEMBL12371615 0.84 CTSL (0.66) CTSLCTSKCTSBMAPTGAA
SCHEMBL12371493 0.84 CTSL (0.66) CTSLCTSKCTSBMAPTGAA
SCHEMBL12371558 0.84 CTSL (0.49) CTSLCTSKKLK5CTSSMAPT
SCHEMBL12370559 0.83 CTSL (0.62) CTSLCTSKCTSBMAPK1ALDH1A1
SCHEMBL12371525 0.83 CTSL (0.72) CTSLCTSKMAPTGAAPKM
SCHEMBL12371614 0.82 CTSL (0.67) CTSLCTSKCTSBMAPTALDH1A1

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 11/4885CTSB 1/4885

“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.