SCHEMBL12371623

SCHEMBL12371623

CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NNC(=O)OCC(=O)NCCc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NMBR P28336 6/20 0.64
CTSL P07711 5/20 0.62
CTSS P25774 1/20 0.62
CTSK P43235 1/20 0.62
TACR1 P25103 2/20 0.57
ACE P12821 1/20 0.57
CCKBR P32239 1/20 0.57
BRS3 P32247 2/20 0.57
KLK7 P49862 1/20 0.56

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
SCHEMBL12371552 0.93 CTSL (0.65) NMBRCTSLCTSSCTSKTACR1
SCHEMBL9833490 0.88 CTSL (0.76) NMBRCTSLCTSSCTSKTACR1
SCHEMBL4214126 0.87 CTSL (0.69) NMBRCTSLCTSSCTSKTACR1
SCHEMBL12370618 0.86 CTSS (0.58) CTSLCTSSCTSKACE
SCHEMBL21954242 0.84 NMBR (0.69) NMBRCTSLCTSSCTSKTACR1
SCHEMBL20509877 0.84 NMBR (0.69) NMBRCTSLCTSSCTSKTACR1
SCHEMBL30492977 0.84 NMBR (0.69) NMBRCTSLCTSSCTSKTACR1
SCHEMBL21954243 0.84 NMBR (0.69) NMBRCTSLCTSSCTSKTACR1
SCHEMBL9834534 0.82 CTSL (0.80) NMBRCTSLCTSSCTSKTACR1
SCHEMBL29194048 0.81 MAPT (0.67) NMBRCTSLCTSSCTSKTACR1

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 NMBR 1112/4885CTSL 7/4885CTSS 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.