SCHEMBL12371439

SCHEMBL12371439

CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)SCC(=O)N1CCc2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 4/20 0.59
CTSK P43235 2/20 0.47
CTSB P07858 1/20 0.47
GAA P10253 1/20 0.44
MAPT P10636 4/20 0.43
ALDH1A1 P00352 4/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 3/20 0.43
NOTUM Q6P988 2/20 0.42
GLA P06280 1/20 0.42
LMNA P02545 2/20 0.42
NFKB1 P19838 1/20 0.41
CASP3 P42574 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41

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
SCHEMBL12370550 0.95 CTSL (0.66) CTSLCTSKCTSBGAAMAPT
SCHEMBL12370558 0.86 CTSL (0.68) CTSLCTSKCTSBGAAMAPT
SCHEMBL12371456 0.83 CTSL (0.59) CTSLCTSKCTSBGAAMAPT
SCHEMBL12372025 0.83 CTSL (0.71) CTSLCTSKCTSBGAAMAPT
SCHEMBL12371543 0.81 CTSL (0.60) CTSLCTSKCTSBGAAMAPT
SCHEMBL12370614 0.81 CTSL (0.64) CTSLCTSKCTSBGAAMAPT
SCHEMBL12370542 0.80 CTSL (0.69) CTSLCTSKCTSBGAAMAPT
SCHEMBL28261719 0.80 MAPT (0.66) CTSLCTSKCTSBMAPTALDH1A1
SCHEMBL28261718 0.80 MAPT (0.66) CTSLCTSKCTSBMAPTALDH1A1
SCHEMBL12372026 0.79 CTSL (0.60) CTSLCTSKCTSBRAB9ANPC1

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 7/4885CTSK 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.