SCHEMBL12371543

SCHEMBL12371543

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

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSL P07711 4/20 0.60
CTSK P43235 2/20 0.47
GRM7 Q14831 3/20 0.42
CTSB P07858 1/20 0.41
GAA P10253 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MAPT P10636 4/20 0.40
ALDH1A1 P00352 4/20 0.40
PKM P14618 2/20 0.40
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL12370614 0.92 CTSL (0.64) CTSLCTSKGRM7CTSBGAA
SCHEMBL12370550 0.86 CTSL (0.66) CTSLCTSKGRM7CTSBGAA
SCHEMBL12370558 0.86 CTSL (0.68) CTSLCTSKGRM7CTSBGAA
SCHEMBL12372031 0.85 CTSL (0.58) CTSLCTSKGRM7CTSBGAA
SCHEMBL12372025 0.83 CTSL (0.71) CTSLCTSKGRM7CTSBGAA
SCHEMBL12371620 0.83 CTSL (0.55) CTSLCTSKCTSBGAAMEN1
SCHEMBL12371583 0.83 CTSL (0.55) CTSLCTSKCTSBGAAMEN1
SCHEMBL13619734 0.81 GRM7 (0.50) CTSLGRM7GAAMEN1KMT2A
SCHEMBL12371439 0.81 CTSL (0.59) CTSLCTSKCTSBGAAMEN1
SCHEMBL12370542 0.80 CTSL (0.69) CTSLCTSKGRM7CTSBGAA

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 11/4885GRM7 4818/4885

“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.