SCHEMBL3170065

SCHEMBL3170065

CN(CCN(CC(C)(C)C)C(=O)O)Cc1ccc(C(=O)NN(c2nc(C#N)ncc2Cl)C2CCCC2)cc1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSL P07711 3/20 0.38
CTSK P43235 3/20 0.38
CTSS P25774 2/20 0.38
CTSB P07858 1/20 0.38
SIGMAR1 Q99720 9/20 0.35
TMEM97 Q5BJF2 8/20 0.35
NR1H4 Q96RI1 1/20 0.33
HIF1A Q16665 1/20 0.32
EPAS1 Q99814 1/20 0.32
USP7 Q93009 2/20 0.32
USP10 Q14694 1/20 0.32
F10 P00742 1/20 0.32

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 SCHEMBL3176815 0.96 CTSS (0.36) CTSLCTSKCTSSCTSBSIGMAR1
SCHEMBL3954017 0.89 CTSK (0.41) CTSLCTSKCTSSCTSBSIGMAR1
SCHEMBL3165918 0.88 CTSK (0.42) CTSLCTSKCTSSCTSBSIGMAR1
SCHEMBL3168819 0.88 CTSK (0.42) CTSLCTSKCTSSCTSBSIGMAR1
Trifluoroacetic Acid SCHEMBL3959334 0.87 CTSL (0.38) CTSLCTSKCTSSCTSBSIGMAR1
SCHEMBL3165113 0.86 CTSS (0.46) CTSLCTSKCTSSCTSBSIGMAR1
SCHEMBL3166608 0.86 CTSS (0.47) CTSLCTSKCTSSCTSBSIGMAR1
SCHEMBL3166033 0.86 CTSK (0.41) CTSLCTSKCTSSCTSBSIGMAR1
SCHEMBL3170053 0.86 CTSL (0.38) CTSLCTSKCTSSCTSBSIGMAR1
SCHEMBL3176722 0.86 CTSK (0.43) CTSLCTSKCTSSCTSBF10

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-20100009956-A1 NOVEL SUBSTITUTED PYRIMIDINES AS CYSTEINE PROTEASE INHIBITORS Glaxo Group Limited , a corporation 2010-01-14 US claimed
US-20100009956-A1 NOVEL SUBSTITUTED PYRIMIDINES AS CYSTEINE PROTEASE INHIBITORS Glaxo Group Limited , a corporation 2010-01-14 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-20100009956-A1 NOVEL SUBSTITUTED PYRIMIDINES AS CYSTEINE PROTEASE INHIBITORS SERPINB1, CTRL, PRSS1 CTSL 9/4885CTSK 65/4885CTSS 15/4885

“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.