SCHEMBL12371606

SCHEMBL12371606

CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NNC(=O)OCC(=O)N1CCCc2ccccc21

nearest known ligand 0.74

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSL P07711 5/20 0.74
SCN9A Q15858 6/20 0.53
CTSK P43235 2/20 0.48
CTSS P25774 2/20 0.48
CTSB P07858 1/20 0.48
GRM7 Q14831 1/20 0.47
ACE P12821 1/20 0.46
AKT1 P31749 1/20 0.45
ALDH1A1 P00352 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
SCHEMBL12372035 0.85 CTSL (1.00) CTSLCTSKCTSS
SCHEMBL12371600 0.85 CTSL (1.00) CTSLCTSKCTSS
SCHEMBL2374682 0.78 SCN9A (0.61) CTSLSCN9ACTSKCTSSCTSB
SCHEMBL2374657 0.78 SCN9A (0.61) CTSLSCN9ACTSKCTSSCTSB
SCHEMBL12371614 0.78 CTSL (0.67) CTSLSCN9ACTSKCTSBALDH1A1
SCHEMBL4216378 0.77 CTSK (0.65) CTSLCTSKCTSSCTSBACE
SCHEMBL4224863 0.77 CTSK (0.65) CTSLCTSKCTSSCTSBACE
SCHEMBL12372025 0.76 CTSL (0.71) CTSLSCN9ACTSKCTSBGRM7
SCHEMBL12371604 0.75 CTSS (0.60) CTSLCTSKCTSSCTSBACE
SCHEMBL23833928 0.75 CTSK (0.51) CTSLSCN9ACTSKCTSBGRM7

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 1 patent. 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

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 7/4885SCN9A 3777/4885CTSK 11/4885

“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.