SCHEMBL6836893

SCHEMBL6836893

C[C@@H]1CC[C@H](NC(=O)[C@H](CC(C)(C)C)NC(=O)c2cc3sccc3s2)C(=O)CN1S(=O)(=O)c1ccccn1

nearest known ligand 0.69

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSK P43235 20/20 0.69
CTSL P07711 19/20 0.69
CTSS P25774 18/20 0.69
CTSV O60911 1/20 0.58
CTSB P07858 1/20 0.58

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
SCHEMBL6836936 0.91 CTSK (0.69) CTSKCTSLCTSSCTSVCTSB
SCHEMBL6842301 0.87 CTSK (0.52) CTSKCTSLCTSSCTSVCTSB
SCHEMBL6214635 0.84 CTSK (0.73) CTSKCTSLCTSSCTSVCTSB
SCHEMBL6842286 0.82 CTSK (1.00) CTSKCTSLCTSSCTSVCTSB
SCHEMBL13784225 0.81 CTSK (0.55) CTSKCTSLCTSSCTSVCTSB
SCHEMBL13784261 0.80 CTSK (0.55) CTSKCTSLCTSSCTSVCTSB
SCHEMBL4314612 0.80 CTSK (0.69) CTSKCTSLCTSSCTSVCTSB
SCHEMBL14345781 0.79 CTSK (0.69) CTSKCTSLCTSSCTSVCTSB
SCHEMBL7005154 0.79 CTSK (0.69) CTSKCTSLCTSSCTSVCTSB
SCHEMBL6842083 0.78 CTSL (0.52) CTSKCTSLCTSSCTSVCTSB

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-7563784-B2 Protease inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2009-07-21 US disclosed
US-7563784-B2 Protease inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2009-07-21 US disclosed
US-20040044201-A1 Protease inhibitors GLAXOSMITHKLINE LLC 2004-03-04 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-20040044201-A1 Protease inhibitors CTSK, CTSE, CTSZ CTSK 1/4885CTSL 11/4885CTSS 5/4885

“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.