SCHEMBL12371614

SCHEMBL12371614

CCCCOc1ccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)SCC(=O)N2CCCc3ccccc32)cc1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSL P07711 6/20 0.67
CTSK P43235 2/20 0.49
TSHR P16473 3/20 0.45
MAPT P10636 2/20 0.45
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.44
HPGD P15428 1/20 0.44
SCN9A Q15858 3/20 0.43
TP53 P04637 2/20 0.43
LMNA P02545 1/20 0.43
CTSB P07858 1/20 0.43
ITGB3 P05106 1/20 0.42
ITGA2B P08514 1/20 0.42
HRH2 P25021 3/20 0.42
HRH1 P35367 3/20 0.42
BCL2 P10415 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
SCHEMBL12372026 0.96 CTSL (0.60) CTSLCTSKSCN9ACTSBITGB3
SCHEMBL12371493 0.88 CTSL (0.66) CTSLCTSKTSHRMAPTALDH1A1
SCHEMBL12371615 0.88 CTSL (0.66) CTSLCTSKTSHRMAPTALDH1A1
SCHEMBL12371565 0.86 CTSL (0.50) CTSLMAPTTP53LMNAITGB3
SCHEMBL12371562 0.85 CTSL (0.50) CTSLCTSKTSHRHPGDSCN9A
SCHEMBL12372025 0.83 CTSL (0.71) CTSLCTSKMAPTALDH1A1SCN9A
SCHEMBL12371456 0.83 CTSL (0.59) CTSLCTSKTSHRMAPTALDH1A1
SCHEMBL12371525 0.82 CTSL (0.72) CTSLCTSKMAPTALDH1A1POLB
SCHEMBL12370542 0.82 CTSL (0.69) CTSLCTSKTSHRMAPTALDH1A1
SCHEMBL12370558 0.81 CTSL (0.68) CTSLCTSKMAPTALDH1A1POLB

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 11/4885TSHR 3396/4885

“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.