SCHEMBL4040736

SCHEMBL4040736

CC(C)CC(C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)C(=O)c1cccnc1)c1cccc(-c2ccccn2)c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.42
CTSL P07711 3/20 0.42
CTSS P25774 2/20 0.36
PRMT5 O14744 4/20 0.32
WDR77 Q9BQA1 4/20 0.32
GRM5 P41594 1/20 0.32
SCN5A Q14524 1/20 0.32
SCN9A Q15858 1/20 0.32
ACKR3 P25106 1/20 0.32
MMP1 P03956 1/20 0.31
MMP3 P08254 1/20 0.31
MMP9 P14780 1/20 0.31
PREP P48147 1/20 0.31
FAP Q12884 1/20 0.31
KCNA5 P22460 1/20 0.31
PDK1 Q15118 1/20 0.31
PDK2 Q15119 1/20 0.31
ROCK2 O75116 1/20 0.31

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
SCHEMBL4044401 0.93 CTSK (0.41) CTSKCTSLCTSSMMP1MMP3
SCHEMBL4042098 0.92 CTSK (0.44) CTSKCTSLCTSSACKR3PREP
SCHEMBL4042685 0.91 CTSK (0.40) CTSKCTSLCTSSPREPFAP
SCHEMBL4037702 0.90 CTSK (0.43) CTSKCTSLCTSS
SCHEMBL4040975 0.90 CTSK (0.44) CTSKCTSLCTSSPRMT5WDR77
SCHEMBL4044108 0.88 CTSK (0.42) CTSKCTSLCTSS
SCHEMBL4041367 0.88 CTSK (0.41) CTSKCTSLCTSSMMP1MMP3
SCHEMBL4042013 0.86 CTSK (0.46) CTSKCTSLCTSS
SCHEMBL4040031 0.84 CTSK (0.40) CTSKCTSLCTSSROCK2
SCHEMBL4043846 0.84 CTSK (0.44) CTSKCTSLCTSSPRMT5WDR77

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
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP claimed
EP-1546150-A1 BIOLOGICALLY ACTIVE COMPOUNDS Amura Therapeutics Limited (GB) 2005-06-29 EP claimed
WO-2004007501-A1 BIOLOGICALLY ACTIVE COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2004-01-22 WO claimed
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP disclosed
US-20060100431-A1 Biologically active compounds AMURA THERAPEUTICS LIMITED (GB) 2006-05-11 US disclosed
EP-1546150-A1 BIOLOGICALLY ACTIVE COMPOUNDS Amura Therapeutics Limited (GB) 2005-06-29 EP disclosed
WO-2004007501-A1 BIOLOGICALLY ACTIVE COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2004-01-22 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-20060100431-A1 Biologically active compounds SOST, CTSK, CTSS CTSK 2/4885CTSL 57/4885CTSS 3/4885

“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.