SCHEMBL3758017

SCHEMBL3758017

COCNC(=O)[C@H](CCc1ccccc1)NC(=O)OC(C)(C)C

nearest known ligand 0.75

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSS P25774 12/20 0.75
CTSK P43235 12/20 0.75
CTSB P07858 4/20 0.58
CTSL P07711 2/20 0.58
AKT1 P31749 1/20 0.51
CA2 P00918 2/20 0.50
SCN9A Q15858 1/20 0.50
PPARG P37231 1/20 0.48
PPARA Q07869 1/20 0.48

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
SCHEMBL3763891 1.00 CTSS (0.75) CTSSCTSKCTSBCTSLAKT1
SCHEMBL3758014 0.93 CTSK (0.65) CTSSCTSKCTSBCTSLAKT1
SCHEMBL5564249 0.88 CTSS (0.75) CTSSCTSKCTSBCTSLAKT1
SCHEMBL5564256 0.88 CTSS (0.75) CTSSCTSKCTSBCTSLAKT1
SCHEMBL6746907 0.88 CTSS (0.74) CTSSCTSKCTSBCTSLAKT1
SCHEMBL3762221 0.88 CTSS (0.74) CTSSCTSKCTSBCTSLAKT1
SCHEMBL5732504 0.87 CTSS (0.77) CTSSCTSKCTSBCTSLAKT1
SCHEMBL5732509 0.87 CTSS (0.77) CTSSCTSKCTSBCTSLAKT1
SCHEMBL15989226 0.87 CTSS (0.77) CTSSCTSKCTSBCTSLAKT1
SCHEMBL1979805 0.86 CTSS (0.72) CTSSCTSKCTSBCTSLAKT1

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-20100311798-A1 2-AMINOOXAZOLINES AS TAAR1 LIGANDS HOFFMANN-LA ROCHE, INC. 2010-12-09 US disclosed
US-20040142999-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2004-07-22 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 (2 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-20100311798-A1 2-AMINOOXAZOLINES AS TAAR1 LIGANDS TAAR1, TAAR5, NPY2R CTSS 3355/4885CTSK 2354/4885CTSB 2508/4885
US-20040142999-A1 Novel compounds and compositions as cathepsin inhibitors CTSS, CTSB, CTSE CTSS 1/4885CTSK 8/4885CTSB 2/4885

“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.