SCHEMBL6482940

SCHEMBL6482940

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

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSL P07711 14/20 0.47
CTSK P43235 14/20 0.47
CTSS P25774 13/20 0.47
CNR2 P34972 2/20 0.38
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL6476560 0.90 CTSK (0.57) CTSLCTSKCTSS
SCHEMBL6476759 0.88 CTSK (0.45) CTSLCTSKCTSSCNR2
SCHEMBL6477161 0.82 CTSK (0.47) CTSLCTSKCTSSCNR2
SCHEMBL6486342 0.78 CTSL (0.46) CTSLCTSKCTSS
SCHEMBL6475485 0.77 CTSK (0.50) CTSLCTSKCTSS
SCHEMBL6474867 0.75 CTSK (0.60) CTSLCTSKCTSS
SCHEMBL6597915 0.75 CTSK (0.60) CTSLCTSKCTSS
SCHEMBL6485355 0.72 CTSK (0.56) CTSLCTSKCTSS
SCHEMBL6484184 0.72 CTSK (0.47) CTSLCTSKCTSSRAB9AALDH1A1
SCHEMBL6484312 0.71 CTSK (0.57) CTSLCTSKCTSS

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 CTSL 11/4885CTSK 4/4885CTSS 1/4885
US-20030203900-A1 Cysteine protease inhibitors CTSS, CTSE, CTSV CTSL 11/4885CTSK 4/4885CTSS 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.