SCHEMBL6806158

SCHEMBL6806158

CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NC1CCCN(S(=O)(=O)c2ccccn2)CC1O

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSL P07711 3/20 0.49
CTSB P07858 3/20 0.49
CTSS P25774 3/20 0.49
CTSK P43235 2/20 0.49
SCN9A Q15858 7/20 0.47
ACE P12821 1/20 0.45
CYP3A4 P08684 1/20 0.44
CCKAR P32238 1/20 0.43
CCKBR P32239 1/20 0.43

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
SCHEMBL6806160 1.00 CTSL (0.49) CTSLCTSBCTSSCTSKSCN9A
SCHEMBL7591443 0.91 CTSL (0.55) CTSLCTSBCTSSCTSKSCN9A
SCHEMBL7591445 0.91 CTSL (0.55) CTSLCTSBCTSSCTSKSCN9A
SCHEMBL6740606 0.90 CTSK (0.52) CTSLCTSBCTSSCTSK
SCHEMBL6740612 0.90 CTSK (0.52) CTSLCTSBCTSSCTSK
SCHEMBL5093198 0.89 MMP2 (0.43) CTSLCTSBCTSSCTSK
SCHEMBL5093192 0.89 MMP2 (0.43) CTSLCTSBCTSSCTSK
SCHEMBL5096565 0.89 CTSK (0.44) CTSLCTSBCTSSCTSKSCN9A
SCHEMBL5096561 0.89 CTSK (0.44) CTSLCTSBCTSSCTSKSCN9A
SCHEMBL5105404 0.85 ALOX5AP (0.42) CTSLCTSSCTSK

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-20040034013-A1 Administering (3-oxo-azepan-4-ylcarbamoyl)-alkyl)amide derivatives to treat cancer metastasis, diseases caused by tissue destruction by lung macrophase, and by positive selection of CD4\"T\" cells by cortical thymic epithelial cells SMITHKLINE BEECHAM CORPORATION 2004-02-19 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-20040034013-A1 Administering (3-oxo-azepan-4-ylcarbamoyl)-alkyl)amide derivatives to treat cancer metastasis, diseases caused by tissue destruction by lung macrophase, and by positive selection of CD4\"T\" cells by cortical thymic epithelial cells CTSE, CTSZ, CTSS CTSL 5/4885CTSB 4/4885CTSS 3/4885

“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.