SCHEMBL3317262

SCHEMBL3317262

CN(C)CCCn1cnc2c(N(NC(=O)OC(C)(C)C)C3CCCC3)nc(C#N)nc21

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSL P07711 18/20 0.43
CTSS P25774 3/20 0.43
CTSK P43235 3/20 0.43
CTSB P07858 4/20 0.41

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
Trifluoroacetic Acid SCHEMBL3322739 0.95 CTSL (0.40) CTSLCTSSCTSKCTSB
SCHEMBL3319215 0.95 CTSL (0.46) CTSLCTSSCTSKCTSB
SCHEMBL3315952 0.94 CTSL (0.47) CTSLCTSSCTSKCTSB
SCHEMBL8128617 0.94 CTSL (0.39) CTSLCTSSCTSKCTSB
Trifluoroacetic Acid SCHEMBL3321529 0.91 CTSS (0.42) CTSLCTSSCTSKCTSB
SCHEMBL3319238 0.90 CTSL (0.44) CTSLCTSSCTSKCTSB
SCHEMBL3318368 0.90 CTSL (0.43) CTSLCTSSCTSKCTSB
Trifluoroacetic Acid SCHEMBL3315786 0.90 CTSS (0.37) CTSLCTSSCTSKCTSB
SCHEMBL3319229 0.88 CTSL (0.41) CTSLCTSSCTSKCTSB
SCHEMBL3316271 0.86 CTSL (0.41) CTSLCTSSCTSKCTSB

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 13 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
EP-2028182-A1 Cysteine protease inhibitors GLAXO GROUP LIMITED (GB) 2009-02-25 EP claimed
EP-1972630-A1 Purines as cysteine protease inhibitors GLAXO GROUP LIMITED (GB) 2008-09-24 EP claimed
US-20100105652-A1 PURINES AS CYSTEINE PROTEASE INHIBITORS GLAXO GROUP LIMITED 2010-04-29 US disclosed
US-20100105652-A1 PURINES AS CYSTEINE PROTEASE INHIBITORS GLAXO GROUP LIMITED 2010-04-29 US disclosed
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
EP-2028182-A1 Cysteine protease inhibitors GLAXO GROUP LIMITED (GB) 2009-02-25 EP disclosed
EP-2028182-A1 Cysteine protease inhibitors GLAXO GROUP LIMITED (GB) 2009-02-25 EP disclosed
EP-1972630-A1 Purines as cysteine protease inhibitors GLAXO GROUP LIMITED (GB) 2008-09-24 EP disclosed
EP-1972630-A1 Purines as cysteine protease inhibitors GLAXO GROUP LIMITED (GB) 2008-09-24 EP disclosed
WO-2008107368-A1 PURINES AS CYSTEINE PROTEASE INHIBITORS GLAXO GROUP LIMITED (GB) 2008-09-12 WO 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.