SCHEMBL3317196

SCHEMBL3317196

CN(C)CCCCNC(=O)n1cnc2c(N(C3CCCC3)N(OC(=O)C(F)(F)F)C(=O)OC(C)(C)C)nc(C#N)nc21

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.31
CTSS P25774 2/20 0.31
CTSK P43235 1/20 0.31

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
SCHEMBL3322743 0.87 CTSS (0.40) CTSLCTSSCTSK
SCHEMBL3321531 0.85 CTSS (0.41) CTSLCTSSCTSK
Trifluoroacetic Acid SCHEMBL3317193 0.84 CTSL (0.32) CTSLCTSSCTSK
SCHEMBL3317204 0.83 CTSL (0.34) CTSLCTSSCTSK
SCHEMBL3319603 0.83 CTSS (0.34) CTSS
SCHEMBL3315705 0.81 CTSS (0.40) CTSLCTSSCTSK
SCHEMBL3315791 0.81 CTSS (0.38) CTSLCTSSCTSK
SCHEMBL3320171 0.80 CTSS (0.36) CTSLCTSSCTSK
SCHEMBL4432030 0.79 CTSL (0.34) CTSLCTSSCTSK
SCHEMBL4439235 0.78 CTSL (0.36) CTSLCTSSCTSK

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100105652-A1 PURINES AS CYSTEINE PROTEASE INHIBITORS GLAXO GROUP LIMITED 2010-04-29 US claimed
US-20100105652-A1 PURINES AS CYSTEINE PROTEASE INHIBITORS GLAXO GROUP LIMITED 2010-04-29 US disclosed
EP-2118106-A1 PURINES AS CYSTEINE PROTEASE INHIBITORS Glaxo Group Limited (GB) 2009-11-18 EP disclosed
WO-2008107368-A1 PURINES AS CYSTEINE PROTEASE INHIBITORS GLAXO GROUP LIMITED (GB) 2008-09-12 WO 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-20100105652-A1 PURINES AS CYSTEINE PROTEASE INHIBITORS CPN1, SERPINB1, PNP CTSL 31/4885CTSS 37/4885CTSK 135/4885

“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.