SCHEMBL6836459

SCHEMBL6836459

C[C@@H]1CC[C@H](NC(=O)C2(NC(=O)OC(C)(C)C)CCCCC2)[C@@H](O)CN1S(=O)(=O)c1ccccn1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSK P43235 16/20 0.39
CTSL P07711 15/20 0.39
CTSS P25774 14/20 0.39
SMYD3 Q9H7B4 3/20 0.35
ELOVL6 Q9H5J4 1/20 0.33

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
SCHEMBL6835425 0.87 ALOX5AP (0.36) CTSKCTSLCTSS
SCHEMBL4316467 0.86 CTSK (0.42) CTSKCTSLCTSSSMYD3ELOVL6
SCHEMBL5983481 0.86 CTSK (0.42) CTSKCTSLCTSSSMYD3ELOVL6
SCHEMBL4316461 0.86 CTSK (0.42) CTSKCTSLCTSSSMYD3ELOVL6
SCHEMBL5983474 0.86 CTSK (0.42) CTSKCTSLCTSSSMYD3ELOVL6
SCHEMBL4317772 0.82 CTSK (0.43) CTSKCTSLCTSSSMYD3
SCHEMBL4323935 0.82 CTSK (0.43) CTSKCTSLCTSSSMYD3
SCHEMBL4323929 0.81 CTSK (0.42) CTSKCTSLCTSSSMYD3
SCHEMBL4323933 0.81 CTSK (0.42) CTSKCTSLCTSSSMYD3
SCHEMBL4317769 0.81 CTSK (0.42) CTSKCTSLCTSSSMYD3

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-20040038965-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2004-02-26 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-20040038965-A1 Protease inhibitors CTSK, CTSZ, CTSE CTSK 1/4885CTSL 14/4885CTSS 6/4885

“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.