SCHEMBL12371565

SCHEMBL12371565

CCCCOc1ccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)SCC(=O)N2CCOc3ccccc32)cc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSL P07711 6/20 0.50
HRH2 P25021 6/20 0.41
HRH1 P35367 6/20 0.41
ITGB3 P05106 2/20 0.41
ITGA2B P08514 2/20 0.41
BCL2 P10415 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL12372026 0.88 CTSL (0.60) CTSLHRH2HRH1ITGB3ITGA2B
SCHEMBL12371614 0.86 CTSL (0.67) CTSLHRH2HRH1ITGB3ITGA2B
SCHEMBL12371562 0.81 CTSL (0.50) CTSLHRH2HRH1ITGB3ITGA2B
SCHEMBL12370557 0.76 CTSL (0.81) CTSLITGB3ITGA2BBCL2HDAC8
SCHEMBL12370600 0.76 CTSL (0.41) CTSLHRH2HRH1PPARGPPARA
SCHEMBL12371493 0.74 CTSL (0.66) CTSLMAPT
SCHEMBL12371615 0.74 CTSL (0.66) CTSLMAPT
SCHEMBL12370592 0.73 CTSL (0.64) CTSLITGB3ITGA2BBCL2HDAC8
SCHEMBL13620289 0.73 CTSL (0.59) CTSLHRH2HRH1ITGB3ITGA2B
SCHEMBL12372028 0.72 CTSL (0.55) CTSLHRH2HRH1ITGB3ITGA2B

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 7/4885HRH2 2164/4885HRH1 2597/4885

“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.