SCHEMBL6476759

SCHEMBL6476759

C=C1CO[C@H](C)[C@H]1NC(=O)[C@H](CC(C)C)NC(=O)c1ccc(N(CC)CC)cc1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSK P43235 14/20 0.45
TAOK1 Q7L7X3 2/20 0.41
TAOK3 Q9H2K8 2/20 0.41
CTSL P07711 2/20 0.39
CTSS P25774 1/20 0.39
CASP1 P29466 1/20 0.38
CASP3 P42574 1/20 0.38
CNR2 P34972 1/20 0.38
CTSB P07858 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
SCHEMBL6475485 0.90 CTSK (0.50) CTSKCTSLCTSS
SCHEMBL6482940 0.88 CTSL (0.47) CTSKCTSLCTSSCNR2
SCHEMBL6486342 0.79 CTSL (0.46) CTSKCTSLCTSS
SCHEMBL6476560 0.77 CTSK (0.57) CTSKCTSLCTSS
SCHEMBL5741753 0.77 CTSK (0.52) CTSKCTSLCTSS
SCHEMBL6486332 0.75 CTSK (0.56) CTSKCTSLCTSS
SCHEMBL5742589 0.75 CTSK (0.51) CTSKCTSLCTSS
SCHEMBL6476941 0.75 CTSK (0.52) CTSKCTSLCTSS
SCHEMBL5744398 0.75 CTSK (0.67) CTSKTAOK1TAOK3CTSLCTSS
SCHEMBL5741180 0.75 CTSK (0.67) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050020588-A1 Cysteine protease inhibitors PEPTIMMUNE, INC. 2005-01-27 US disclosed
US-20030203900-A1 Cysteine protease inhibitors MEDIVIR UK LTD (GB) 2003-10-30 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-20050020588-A1 Cysteine protease inhibitors CTSS, CTSE, CTSV CTSK 4/4885TAOK1 2508/4885TAOK3 2610/4885
US-20030203900-A1 Cysteine protease inhibitors CTSS, CTSE, CTSV CTSK 4/4885TAOK1 2508/4885TAOK3 2610/4885

“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.