Sugi Predict

Sugi Predict / Compounds / SCHEMBL3159552

SCHEMBL3159552

SCHEMBL3159552

CN(CCC(O)c1ccccc1)Cc1ccc(C(=O)NN(c2nc(C#N)ncc2Cl)C2CCCC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 6/20 0.39
▸ CTSK P43235 6/20 0.39
▸ CTSL P07711 4/20 0.39
▸ CTSB P07858 1/20 0.39
▸ SIGMAR1 Q99720 6/20 0.37
▸ TMEM97 Q5BJF2 5/20 0.37
▸ GLP1R P43220 1/20 0.34
▸ GCGR P47871 1/20 0.34
▸ USP30 Q70CQ3 1/20 0.34
▸ LTA4H P09960 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ USP7 Q93009 2/20 0.33
▸ USP10 Q14694 1/20 0.33
▸ S1PR2 O95136 1/20 0.33
▸ S1PR3 Q99500 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
Trifluoroacetic Acid SCHEMBL3166021 0.96 CTSS (0.37) CTSSCTSKCTSLCTSBSIGMAR1
SCHEMBL3174539 0.89 CTSL (0.47) CTSSCTSKCTSLCTSBSIGMAR1
SCHEMBL3166608 0.89 CTSS (0.47) CTSSCTSKCTSLCTSBSIGMAR1
SCHEMBL3165113 0.87 CTSS (0.46) CTSSCTSKCTSLCTSBSIGMAR1
SCHEMBL3166026 0.87 CTSS (0.36) CTSSCTSKCTSLCTSBSIGMAR1
SCHEMBL3954017 0.87 CTSK (0.41) CTSSCTSKCTSLCTSBSIGMAR1
SCHEMBL3165918 0.87 CTSK (0.42) CTSSCTSKCTSLCTSBSIGMAR1
SCHEMBL3168819 0.87 CTSK (0.42) CTSSCTSKCTSLCTSBSIGMAR1
Trifluoroacetic Acid SCHEMBL3169547 0.86 CTSL (0.43) CTSSCTSKCTSLCTSBSIGMAR1
SCHEMBL3170050 0.86 CTSS (0.39) CTSSCTSKCTSLCTSBSIGMAR1

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 7 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
EP-2030621-A1 Novel substituted pyrimidines as cysteine protease inhibitors GLAXO GROUP LIMITED (GB) 2009-03-04 — — EP 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
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.