SCHEMBL8211313

SCHEMBL8211313

CCN(CCCNC(=O)OC(C)(C)C)Cc1ccc(C(=O)NN(c2nc(C#N)ncc2Cl)C2CCCC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 2/20 0.39
FNTB P49356 2/20 0.39
PGGT1B P53609 2/20 0.39
KCNH2 Q12809 1/20 0.39
USP7 Q93009 2/20 0.38
CTSK P43235 5/20 0.36
STK17B O94768 1/20 0.36
STK17A Q9UEE5 1/20 0.36
CCNC P24863 1/20 0.35
CDK8 P49336 1/20 0.35
CTSL P07711 5/20 0.34
CTSS P25774 4/20 0.34
CTSB P07858 1/20 0.34
PRKAA2 P54646 2/20 0.33
CPB2 Q96IY4 1/20 0.33
DRD2 P14416 1/20 0.33
TP53 P04637 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
TTK P33981 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL3920108 0.90 USP7 (0.42) USP7CTSKCTSLCTSSCTSB
SCHEMBL8205148 0.90 USP7 (0.39) FNTAFNTBPGGT1BKCNH2USP7
SCHEMBL3173740 0.86 CTSK (0.47) CTSKCTSLCTSSCTSBHDAC8
SCHEMBL3169243 0.86 CTSK (0.38) USP7CTSKCTSLCTSSCTSB
Trifluoroacetic Acid SCHEMBL3176999 0.83 CTSK (0.42) CTSKCTSLCTSSCTSBHDAC8
SCHEMBL3170053 0.81 CTSL (0.38) CTSKCTSLCTSSCTSB
SCHEMBL3176722 0.81 CTSK (0.43) CTSKCTSLCTSSCTSBHDAC6
SCHEMBL3173204 0.81 CTSL (0.38) CTSKCTSLCTSSCTSB
SCHEMBL3172936 0.80 CTSS (0.39) CTSKCTSLCTSSCTSB
SCHEMBL3169583 0.80 CTSS (0.41) CTSKCTSLCTSSCTSB

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 3 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 disclosed
US-20100009956-A1 NOVEL SUBSTITUTED PYRIMIDINES AS CYSTEINE PROTEASE INHIBITORS Glaxo Group Limited , a corporation 2010-01-14 US disclosed
WO-2008052934-A1 NOVEL SUBSTITUTED PYRIMIDINES AS CYSTEINE PROTEASE INHIBITORS GLAXO GROUP LIMITED (GB) 2008-05-08 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-20100009956-A1 NOVEL SUBSTITUTED PYRIMIDINES AS CYSTEINE PROTEASE INHIBITORS SERPINB1, CTRL, PRSS1 FNTA 1349/4885FNTB 679/4885PGGT1B 1665/4885

“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.