SCHEMBL12371567

SCHEMBL12371567

CCCCOC[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)SCC(=O)N1CCc2ccccc2C1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.50
CTSL P07711 6/20 0.47
CTSB P07858 1/20 0.41
TDP1 Q9NUW8 1/20 0.39
CTSS P25774 1/20 0.39
DPP8 Q6V1X1 1/20 0.39
DPP9 Q86TI2 1/20 0.39
DRD2 P14416 3/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
BCHE P06276 1/20 0.37
ACHE P22303 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
SCHEMBL12371562 0.88 CTSL (0.50) CTSKCTSLDPP8DPP9KMT2A
SCHEMBL12371493 0.85 CTSL (0.66) CTSKCTSLCTSBALDH1A1KMT2A
SCHEMBL12371615 0.85 CTSL (0.66) CTSKCTSLCTSBALDH1A1KMT2A
SCHEMBL12371558 0.84 CTSL (0.49) CTSKCTSLTDP1CTSSDPP8
SCHEMBL18540645 0.79 CTSL (0.75) CTSKCTSLCTSSKMT2AMEN1
SCHEMBL12370596 0.77 CTSL (0.73) CTSKCTSLCTSSLMNAALDH1A1
SCHEMBL12371564 0.77 CTSL (0.73) CTSKCTSLCTSSLMNAALDH1A1
SCHEMBL12372029 0.76 CTSL (0.55) CTSKCTSLCTSBCTSSKMT2A
SCHEMBL12372026 0.76 CTSL (0.60) CTSKCTSLCTSB
SCHEMBL12370600 0.74 CTSL (0.41) CTSKCTSLCTSBCTSSKMT2A

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 CTSK 11/4885CTSL 7/4885CTSB 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.