SCHEMBL12371604

SCHEMBL12371604

CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NNC(=O)OCC(=O)NCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSS P25774 10/20 0.60
CTSK P43235 10/20 0.60
CTSB P07858 4/20 0.60
CTSL P07711 2/20 0.60
AKT1 P31749 1/20 0.53
ACE P12821 1/20 0.53
ATM Q13315 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
REN P00797 2/20 0.49
KLK5 Q9Y337 1/20 0.49
BCL2 P10415 1/20 0.48

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
SCHEMBL12370618 0.90 CTSS (0.58) CTSSCTSKCTSBCTSLAKT1
SCHEMBL12372036 0.90 CTSK (0.57) CTSSCTSKCTSBCTSLREN
SCHEMBL12371630 0.87 TACR1 (0.64) CTSSCTSKCTSBCTSLHDAC8
SCHEMBL12371552 0.86 CTSL (0.65) CTSSCTSKCTSLACEKLK5
SCHEMBL4224863 0.86 CTSK (0.65) CTSSCTSKCTSBCTSLAKT1
SCHEMBL4216378 0.86 CTSK (0.65) CTSSCTSKCTSBCTSLAKT1
SCHEMBL3383006 0.84 CTSS (0.77) CTSSCTSKCTSBCTSLAKT1
SCHEMBL4229789 0.81 TACR1 (0.68) CTSSCTSKCTSBCTSL
SCHEMBL5190021 0.81 TACR1 (0.68) CTSSCTSKCTSBCTSL
SCHEMBL27733229 0.81 CTSS (0.65) CTSSCTSKCTSBCTSLAKT1

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 CTSS 2/4885CTSK 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.