SCHEMBL3166608

SCHEMBL3166608

CN(CCc1ccccc1)Cc1ccc(C(=O)NN(c2nc(C#N)ncc2Cl)C2CCCC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSS P25774 6/20 0.47
CTSK P43235 5/20 0.47
CTSL P07711 5/20 0.47
SIGMAR1 Q99720 9/20 0.41
TMEM97 Q5BJF2 8/20 0.41
CTSB P07858 1/20 0.40
HDAC1 Q13547 2/20 0.39
USP10 Q14694 1/20 0.36
USP7 Q93009 1/20 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
Trifluoroacetic Acid SCHEMBL3166060 0.96 CTSS (0.44) CTSSCTSKCTSLSIGMAR1TMEM97
SCHEMBL3165113 0.95 CTSS (0.46) CTSSCTSKCTSLSIGMAR1TMEM97
Trifluoroacetic Acid SCHEMBL3159729 0.91 CTSS (0.43) CTSSCTSKCTSLSIGMAR1TMEM97
SCHEMBL3954017 0.90 CTSK (0.41) CTSSCTSKCTSLSIGMAR1TMEM97
SCHEMBL3168819 0.90 CTSK (0.42) CTSSCTSKCTSLSIGMAR1TMEM97
SCHEMBL3165918 0.90 CTSK (0.42) CTSSCTSKCTSLSIGMAR1TMEM97
SCHEMBL3166033 0.89 CTSK (0.41) CTSSCTSKCTSLSIGMAR1TMEM97
SCHEMBL3159552 0.89 CTSS (0.39) CTSSCTSKCTSLSIGMAR1TMEM97
SCHEMBL3176722 0.88 CTSK (0.43) CTSSCTSKCTSLCTSBHDAC1
SCHEMBL3174539 0.88 CTSL (0.47) CTSSCTSKCTSLSIGMAR1TMEM97

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 5 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
US-20100009956-A1 NOVEL SUBSTITUTED PYRIMIDINES AS CYSTEINE PROTEASE INHIBITORS Glaxo Group Limited , a corporation 2010-01-14 US disclosed
US-20100009956-A1 NOVEL SUBSTITUTED PYRIMIDINES AS CYSTEINE PROTEASE INHIBITORS Glaxo Group Limited , a corporation 2010-01-14 US disclosed
EP-2030621-A1 Novel substituted pyrimidines as cysteine protease inhibitors GLAXO GROUP LIMITED (GB) 2009-03-04 EP 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 CTSS 15/4885CTSK 65/4885CTSL 9/4885

“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.