SCHEMBL5870405

SCHEMBL5870405

CN(C(=O)C(CC1CCCCC1)OC(=O)N1CCOCC1)C1COCC1=O

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSS P25774 17/20 0.39
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36
MMP8 P22894 1/20 0.36
MMP13 P45452 1/20 0.36
CTSL P07711 6/20 0.35
CTSK P43235 4/20 0.35
REN P00797 1/20 0.34
CTSB P07858 1/20 0.34

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
SCHEMBL5870349 0.83 SMN1; SMN2 (0.35) CTSSCTSLCTSK
SCHEMBL6062499 0.78 CTSS (0.47) CTSSMMP1MMP2MMP3MMP8
SCHEMBL6632644 0.78 CTSS (0.47) CTSSMMP1MMP2MMP3MMP8
SCHEMBL4449644 0.75 CTSS (0.44) CTSSCTSLCTSKRENCTSB
SCHEMBL4454183 0.75 CTSS (0.44) CTSSCTSLCTSKRENCTSB
SCHEMBL4459425 0.74 CTSS (0.47) CTSSMMP1MMP2MMP3MMP8
SCHEMBL5870402 0.72 CTSS (0.42) CTSSCTSLCTSKRENCTSB
SCHEMBL12196236 0.71 CTSS (0.49) CTSSMMP1MMP2MMP3MMP8
SCHEMBL12196292 0.71 CTSS (0.49) CTSSMMP1MMP2MMP3MMP8
SCHEMBL13677267 0.71 CTSS (0.54) CTSSCTSLCTSKREN

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7132449-B2 Inhibitors of cruzipain and other cysteine proteases AMURA THERAPEUTICS LIMITED (GB) 2006-11-07 US disclosed
US-20040127424-A1 Inhibitors of cruzipain and other cysteine proteases AMURA THERAPUTICS LIMITED (GB) 2004-07-01 US disclosed
EP-1358174-A2 INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES Amura Therapeutics Limited (GB) 2003-11-05 EP disclosed
WO-2002057248-A2 INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES AMURA THERAPEUTICS LIMITED (GB) 2002-07-25 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-20040127424-A1 Inhibitors of cruzipain and other cysteine proteases CPN1, CTRL, CPA1 CTSS 24/4885BCHE 1080/4885ACHE 2453/4885

“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.