SCHEMBL4316467

SCHEMBL4316467

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

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSK P43235 14/20 0.42
CTSL P07711 13/20 0.42
CTSS P25774 12/20 0.42
SMYD3 Q9H7B4 3/20 0.41
ELOVL6 Q9H5J4 1/20 0.38
CTSV O60911 1/20 0.37
CTSB P07858 1/20 0.37
RORC P51449 1/20 0.37

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
SCHEMBL4316461 1.00 CTSK (0.42) CTSKCTSLCTSSSMYD3ELOVL6
SCHEMBL5983474 1.00 CTSK (0.42) CTSKCTSLCTSSSMYD3ELOVL6
SCHEMBL5983481 1.00 CTSK (0.42) CTSKCTSLCTSSSMYD3ELOVL6
SCHEMBL6836459 0.86 CTSK (0.39) CTSKCTSLCTSSSMYD3ELOVL6
SCHEMBL13784253 0.86 CTSK (0.52) CTSKCTSLCTSSCTSVCTSB
SCHEMBL13784250 0.86 CTSK (0.52) CTSKCTSLCTSSCTSVCTSB
SCHEMBL6744878 0.84 CTSK (0.54) CTSKCTSLCTSS
SCHEMBL6744874 0.84 CTSK (0.54) CTSKCTSLCTSS
SCHEMBL5105404 0.83 ALOX5AP (0.42) CTSKCTSLCTSS
SCHEMBL14131623 0.83 ALOX5AP (0.42) CTSKCTSLCTSS

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 4 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-20060194787-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2006-08-31 US disclosed
US-7071184-B2 Protease inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2006-07-04 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 (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-20060194787-A1 Protease inhibitors CTSK, CTSL, CTSZ CTSK 1/4885CTSL 2/4885CTSS 4/4885
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.