SCHEMBL12371562

SCHEMBL12371562

CCCCOc1ccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)SCC(=O)N2CCc3ccccc3C2)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSL P07711 5/20 0.50
CTSK P43235 1/20 0.48
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43
HRH2 P25021 3/20 0.43
HRH1 P35367 3/20 0.43
DPP8 Q6V1X1 1/20 0.43
DPP9 Q86TI2 1/20 0.43
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 1/20 0.42
BCL2 P10415 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
SCN9A Q15858 2/20 0.41
PSMB8 P28062 2/20 0.40
PSMB5 P28074 2/20 0.40
KMT2A Q03164 1/20 0.40

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 0.88 CTSL (0.60) CTSLCTSKITGB3ITGA2BHRH2
SCHEMBL12371567 0.88 CTSK (0.50) CTSLCTSKDPP8DPP9KMT2A
SCHEMBL12371614 0.85 CTSL (0.67) CTSLCTSKITGB3ITGA2BHRH2
SCHEMBL12371558 0.81 CTSL (0.49) CTSLCTSKDPP8DPP9KMT2A
SCHEMBL12371565 0.81 CTSL (0.50) CTSLITGB3ITGA2BHRH2HRH1
SCHEMBL18540645 0.79 CTSL (0.75) CTSLCTSKSMN1; SMN2KMT2A
SCHEMBL12370557 0.78 CTSL (0.81) CTSLCTSKITGB3ITGA2BTSHR
SCHEMBL12371613 0.76 ITGB3 (0.46) CTSLCTSKITGB3ITGA2BHRH2
SCHEMBL12370592 0.75 CTSL (0.64) CTSLCTSKITGB3ITGA2BBCL2
SCHEMBL13620289 0.75 CTSL (0.59) CTSLCTSKITGB3ITGA2BHRH2

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 11/4885ITGB3 3783/4885

“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.