SCHEMBL12372026

SCHEMBL12372026

CCCCOc1ccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)SCC(=O)N2CCc3ccccc32)cc1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSL P07711 6/20 0.60
CTSK P43235 2/20 0.48
CTSB P07858 1/20 0.48
SCN9A Q15858 6/20 0.46
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43
HRH2 P25021 3/20 0.43
HRH1 P35367 3/20 0.43
BCL2 P10415 1/20 0.42
HDAC8 Q9BY41 1/20 0.42

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
SCHEMBL12371614 0.96 CTSL (0.67) CTSLCTSKCTSBSCN9AITGB3
SCHEMBL12371562 0.88 CTSL (0.50) CTSLCTSKSCN9AITGB3ITGA2B
SCHEMBL12371565 0.88 CTSL (0.50) CTSLITGB3ITGA2BHRH2HRH1
SCHEMBL12371493 0.84 CTSL (0.66) CTSLCTSKCTSBSCN9A
SCHEMBL12371615 0.84 CTSL (0.66) CTSLCTSKCTSBSCN9A
SCHEMBL12371439 0.79 CTSL (0.59) CTSLCTSKCTSBSCN9ANPC1
SCHEMBL12371456 0.79 CTSL (0.59) CTSLCTSKCTSB
SCHEMBL12372025 0.78 CTSL (0.71) CTSLCTSKCTSBSCN9A
SCHEMBL12370557 0.78 CTSL (0.81) CTSLCTSKCTSBITGB3ITGA2B
SCHEMBL12371525 0.77 CTSL (0.72) CTSLCTSKSCN9A

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.