SCHEMBL12372036

SCHEMBL12372036

CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)OCC(=O)NCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSK P43235 10/20 0.57
REN P00797 3/20 0.53
CTSS P25774 4/20 0.49
CTSL P07711 3/20 0.49
CTSB P07858 2/20 0.49
ANPEP P15144 1/20 0.49
CCKBR P32239 1/20 0.49
BACE1 P56817 2/20 0.49

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
SCHEMBL12370571 0.90 CTSK (0.55) CTSKRENCTSSCTSLCTSB
SCHEMBL12371604 0.90 CTSS (0.60) CTSKRENCTSSCTSLCTSB
SCHEMBL25283632 0.86 CTSK (0.76) CTSKRENCTSSCTSLCTSB
SCHEMBL4214306 0.86 CTSK (0.76) CTSKRENCTSSCTSLCTSB
SCHEMBL8418512 0.85 REN (0.65) CTSKRENCTSSCTSLCTSB
SCHEMBL7373205 0.84 REN (0.60) CTSKRENCTSSCTSLCTSB
SCHEMBL25286338 0.82 CTSK (0.80) CTSKCTSSCTSLCTSB
SCHEMBL25293921 0.82 CTSK (0.80) CTSKCTSSCTSLCTSB
SCHEMBL12371552 0.81 CTSL (0.65) CTSKCTSSCTSLCCKBR
SCHEMBL12370618 0.80 CTSS (0.58) CTSKRENCTSSCTSLCTSB

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 CTSK 11/4885REN 566/4885CTSS 2/4885

“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.