SCHEMBL3169243

SCHEMBL3169243

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

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.38
USP7 Q93009 2/20 0.36
CTSS P25774 6/20 0.36
CTSL P07711 5/20 0.36
CTSB P07858 1/20 0.36
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
F10 P00742 1/20 0.31
GCGR P47871 2/20 0.31
CHRM2 P08172 1/20 0.30
ITK Q08881 1/20 0.30
MBTPS1 Q14703 1/20 0.30
TP53 P04637 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL3173740 0.89 CTSK (0.47) CTSKCTSSCTSLCTSBHDAC8
SCHEMBL3920108 0.88 USP7 (0.42) CTSKUSP7CTSSCTSLCTSB
Trifluoroacetic Acid SCHEMBL3176999 0.86 CTSK (0.42) CTSKCTSSCTSLCTSBHDAC8
SCHEMBL8211313 0.86 FNTA (0.39) CTSKUSP7CTSSCTSLCTSB
SCHEMBL3169583 0.84 CTSS (0.41) CTSKCTSSCTSLCTSBGCGR
SCHEMBL3176722 0.83 CTSK (0.43) CTSKCTSSCTSLCTSBHDAC6
SCHEMBL3172936 0.83 CTSS (0.39) CTSKCTSSCTSLCTSBITK
SCHEMBL3159544 0.82 CTSK (0.41) CTSKCTSSCTSLCTSBITK
SCHEMBL3169251 0.82 CTSK (0.42) CTSKCTSSCTSLCTSBF10
SCHEMBL3173212 0.82 CTSS (0.39) CTSKCTSSCTSLCTSBHDAC6

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 CTSK 65/4885USP7 320/4885CTSS 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.