SCHEMBL5983343

SCHEMBL5983343

C[C@@H]1CC[C@H](NC(=O)[CH]CC2(C(N)=O)CCCC2)[C@@H](O)CN1S(=O)(=O)c1ccccn1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSK P43235 17/20 0.40
CTSL P07711 16/20 0.40
CTSS P25774 15/20 0.40
CTSV O60911 1/20 0.36
CTSB P07858 1/20 0.36
SMYD3 Q9H7B4 3/20 0.36

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
SCHEMBL4312625 0.82 CTSK (0.40) CTSKCTSLCTSSCTSVCTSB
SCHEMBL4309763 0.82 CTSK (0.40) CTSKCTSLCTSSCTSVCTSB
SCHEMBL4319067 0.82 CTSK (0.40) CTSKCTSLCTSSCTSVCTSB
SCHEMBL4328359 0.82 CTSK (0.40) CTSKCTSLCTSSCTSVCTSB
SCHEMBL4309293 0.82 CTSK (0.40) CTSKCTSLCTSSCTSVCTSB
SCHEMBL4314724 0.82 CTSK (0.40) CTSKCTSLCTSSCTSVCTSB
SCHEMBL4323929 0.82 CTSK (0.42) CTSKCTSLCTSSCTSVCTSB
SCHEMBL4323933 0.82 CTSK (0.42) CTSKCTSLCTSSCTSVCTSB
SCHEMBL4317769 0.82 CTSK (0.42) CTSKCTSLCTSSCTSVCTSB
SCHEMBL4317772 0.80 CTSK (0.43) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060052365-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2006-03-09 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-20060052365-A1 Protease inhibitors CTSS, CTSE, CMA1 CTSK 5/4885CTSL 12/4885CTSS 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.