SCHEMBL6740606

SCHEMBL6740606

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

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSK P43235 17/20 0.52
CTSL P07711 13/20 0.52
CTSS P25774 9/20 0.52
CTSB P07858 3/20 0.51
CTSV O60911 1/20 0.49
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
SCHEMBL6740612 1.00 CTSK (0.52) CTSKCTSLCTSSCTSBCTSV
SCHEMBL5093198 0.90 MMP2 (0.43) CTSKCTSLCTSSCTSBCTSV
SCHEMBL6806158 0.90 CTSL (0.49) CTSKCTSLCTSSCTSB
SCHEMBL5093192 0.90 MMP2 (0.43) CTSKCTSLCTSSCTSBCTSV
SCHEMBL6806160 0.90 CTSL (0.49) CTSKCTSLCTSSCTSB
SCHEMBL5096565 0.89 CTSK (0.44) CTSKCTSLCTSSCTSBCTSV
SCHEMBL5096561 0.89 CTSK (0.44) CTSKCTSLCTSSCTSBCTSV
SCHEMBL5096536 0.89 CTSK (0.44) CTSKCTSLCTSSCTSBCTSV
SCHEMBL5096540 0.89 CTSK (0.44) CTSKCTSLCTSSCTSBCTSV
SCHEMBL7566866 0.89 CTSK (0.44) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040229863-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2004-11-18 US disclosed
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
US-20030114437-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2003-06-19 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 (3 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-20030114437-A1 Protease inhibitors CTSS, CTSE, CTSF CTSK 6/4885CTSL 24/4885CTSS 1/4885
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
US-20040229863-A1 Protease inhibitors CTSS, CTSE, CTSF CTSK 6/4885CTSL 24/4885CTSS 1/4885

“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.