SCHEMBL6475446

SCHEMBL6475446

C[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC(C)(C)C)NC(=O)N1CCOCC1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSS P25774 19/20 0.48
CTSK P43235 4/20 0.46
CTSL P07711 3/20 0.45
PKM P14618 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL6476174 0.91 CTSS (0.41) CTSSCTSKCTSLPKMSMN1; SMN2
SCHEMBL6477138 0.91 CTSS (0.44) CTSSCTSKCTSLPKMSMN1; SMN2
SCHEMBL6483954 0.89 CTSS (0.58) CTSSCTSKCTSL
SCHEMBL8266527 0.89 CTSS (0.58) CTSSCTSKCTSL
SCHEMBL6476113 0.87 CTSS (0.47) CTSSCTSKCTSLSMN1; SMN2
SCHEMBL6476393 0.85 CTSS (0.49) CTSSCTSKCTSLPKMSMN1; SMN2
SCHEMBL6476193 0.85 CTSS (0.50) CTSSCTSKCTSL
SCHEMBL6592618 0.85 CTSS (0.43) CTSSCTSKCTSL
SCHEMBL6476747 0.84 CTSS (0.45) CTSSPKMSMN1; SMN2
SCHEMBL6484770 0.84 CTSS (0.47) CTSSCTSKCTSLPKMSMN1; SMN2

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 claimed
US-20050020588-A1 Cysteine protease inhibitors PEPTIMMUNE, INC. 2005-01-27 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-20050020588-A1 Cysteine protease inhibitors CTSS, CTSE, CTSV CTSS 1/4885CTSK 4/4885CTSL 11/4885

“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.