SCHEMBL6809592

SCHEMBL6809592

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

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSK P43235 8/20 0.50
CTSL P07711 7/20 0.50
CTSS P25774 7/20 0.50
CTSB P07858 5/20 0.50
CTSV O60911 1/20 0.43
ALDH1A1 P00352 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
SCHEMBL6697424 1.00 CTSK (0.50) CTSKCTSLCTSSCTSBCTSV
SCHEMBL5138834 0.90 CTSL (0.55) CTSKCTSLCTSSCTSBCTSV
SCHEMBL5138832 0.90 CTSL (0.55) CTSKCTSLCTSSCTSBCTSV
SCHEMBL5138833 0.90 CTSL (0.55) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4686499 0.88 CTSK (0.49) CTSKCTSLCTSSCTSBCTSV
SCHEMBL5971807 0.88 CTSK (0.49) CTSKCTSLCTSSCTSBCTSV
SCHEMBL5983128 0.88 CTSK (0.40) CTSKCTSLCTSSCTSBCTSV
SCHEMBL6742380 0.87 CTSK (0.40) CTSKCTSLCTSSCTSBCTSV
SCHEMBL6629817 0.87 CTSK (0.40) CTSKCTSLCTSSCTSBCTSV
SCHEMBL6742391 0.87 CTSK (0.40) CTSKCTSLCTSSCTSBCTSV

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 CTSK 10/4885CTSL 5/4885CTSS 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.