SCHEMBL12371620

SCHEMBL12371620

CCCCOC[C@@H](CC(=O)NNC(=O)SCC(=O)N1CCCc2ccccc21)NC(=O)OC(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSL P07711 4/20 0.55
CTSK P43235 2/20 0.52
CTSB P07858 1/20 0.46
MAPT P10636 5/20 0.39
TSHR P16473 4/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.38
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 5/20 0.38
POLB P06746 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
GAA P10253 1/20 0.37
TP53 P04637 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL12371583 1.00 CTSL (0.55) CTSLCTSKCTSBMAPTTSHR
SCHEMBL12371615 0.88 CTSL (0.66) CTSLCTSKCTSBMAPTTSHR
SCHEMBL12371493 0.88 CTSL (0.66) CTSLCTSKCTSBMAPTTSHR
SCHEMBL12372031 0.85 CTSL (0.58) CTSLCTSKCTSBMAPTTSHR
SCHEMBL12370614 0.84 CTSL (0.64) CTSLCTSKCTSBMAPTKMT2A
SCHEMBL12371543 0.83 CTSL (0.60) CTSLCTSKCTSBMAPTKMT2A
SCHEMBL12371456 0.81 CTSL (0.59) CTSLCTSKCTSBMAPTTSHR
SCHEMBL12371614 0.80 CTSL (0.67) CTSLCTSKCTSBMAPTTSHR
SCHEMBL12370558 0.79 CTSL (0.68) CTSLCTSKCTSBMAPTKMT2A
SCHEMBL12370550 0.78 CTSL (0.66) CTSLCTSKCTSBMAPTKMT2A

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 7/4885CTSK 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.