SCHEMBL5870342

SCHEMBL5870342

CC1OCC(=O)C1NC(=O)C(CC(C)(C)C)OC(=O)N1CCOCC1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSS P25774 10/20 0.35
CTSK P43235 6/20 0.35
CTSL P07711 2/20 0.35
USP2 O75604 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TSHR P16473 1/20 0.33
RECQL P46063 2/20 0.32
RAB9A P51151 1/20 0.32
ALDH1A1 P00352 1/20 0.30
ABHD6 Q9BV23 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
SCHEMBL5870402 0.83 CTSS (0.42) CTSSCTSKCTSL
SCHEMBL6475446 0.80 CTSS (0.48) CTSSCTSKCTSLSMN1; SMN2
SCHEMBL6592618 0.76 CTSS (0.43) CTSSCTSKCTSL
SCHEMBL6477138 0.74 CTSS (0.44) CTSSCTSKCTSLSMN1; SMN2
SCHEMBL6476174 0.74 CTSS (0.41) CTSSCTSKCTSLSMN1; SMN2
SCHEMBL7207843 0.73 SMN1; SMN2 (0.39) CTSKUSP2SMN1; SMN2TSHRRECQL
SCHEMBL6957544 0.73 ALDH1A1 (0.40) CTSSSMN1; SMN2TSHRRECQLALDH1A1
SCHEMBL4449255 0.73 CTSK (0.46) CTSSCTSKCTSLUSP2SMN1; SMN2
SCHEMBL6651574 0.72 SMN1; SMN2 (0.49) CTSSCTSKUSP2SMN1; SMN2TSHR
SCHEMBL6476113 0.71 CTSS (0.47) CTSSCTSKCTSLSMN1; SMN2

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 24/4885CTSK 58/4885CTSL 22/4885

“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.