SCHEMBL3315705

SCHEMBL3315705

CN(CCn1cnc2c(N(C3CCCC3)N(OC(=O)C(F)(F)F)C(=O)OC(C)(C)C)nc(C#N)nc21)C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSS P25774 14/20 0.40
CTSL P07711 4/20 0.40
CTSK P43235 3/20 0.40
CTSB P07858 2/20 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
SCHEMBL3321531 0.94 CTSS (0.41) CTSSCTSLCTSKCTSB
SCHEMBL3322743 0.91 CTSS (0.40) CTSSCTSLCTSKCTSB
SCHEMBL3315791 0.85 CTSS (0.38) CTSSCTSLCTSKCTSB
Trifluoroacetic Acid SCHEMBL3315702 0.82 CTSS (0.41) CTSSCTSLCTSKCTSB
SCHEMBL3315648 0.82 CTSS (0.40) CTSSCTSLCTSKCTSB
SCHEMBL3319238 0.82 CTSL (0.44) CTSSCTSLCTSKCTSB
SCHEMBL3317196 0.81 CTSL (0.31) CTSSCTSLCTSK
SCHEMBL3320171 0.81 CTSS (0.36) CTSSCTSLCTSKCTSB
SCHEMBL3319603 0.81 CTSS (0.34) CTSS
SCHEMBL3317357 0.80 CTSS (0.37) CTSSCTSLCTSKCTSB

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-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

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 CTSS 37/4885CTSL 31/4885CTSK 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.