SCHEMBL5870525

SCHEMBL5870525

CC1OCC(=O)C1NC(=O)C(CC1CCCCC1)SCc1ccoc1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.33
CTSS P25774 5/20 0.33
CTSL P07711 4/20 0.33
CTSV O60911 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
CTSK P43235 4/20 0.30
CTSB P07858 1/20 0.30
NAAA Q02083 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
SCHEMBL5870549 0.84 CTSL (0.37) CTSSCTSLCTSVSMN1; SMN2CTSK
SCHEMBL5870360 0.83 ALDH1A1 (0.40) CTSSCTSLCTSVSMN1; SMN2CTSK
SCHEMBL5870500 0.82 CTSS (0.34) OPRK1CTSSCTSLCTSVCTSK
SCHEMBL5870275 0.81 CTSC (0.43) CTSSCTSLCTSVSMN1; SMN2CTSK
SCHEMBL5870539 0.81 SLC1A3 (0.34) OPRK1CTSSCTSLCTSVCTSK
SCHEMBL5870371 0.77 C5AR1 (0.36) OPRK1CTSSCTSLCTSVSMN1; SMN2
SCHEMBL6803771 0.74 CTSS (0.54) CTSSCTSLCTSVCTSK
SCHEMBL6300240 0.74 OPRK1 (0.32) OPRK1
SCHEMBL4450179 0.73 CTSS (0.49) CTSSCTSLCTSVCTSK
SCHEMBL14347626 0.73 NAAA (0.40) CTSSCTSLCTSVNAAA

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 OPRK1 4299/4885CTSS 24/4885CTSL 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.