SCHEMBL6294783

SCHEMBL6294783

O=C(NC12CCCC1OCC2=O)C(CC1CCCCC1)OCc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSS P25774 14/20 0.39
CTSL P07711 8/20 0.39
CTSB P07858 6/20 0.38
METAP2 P50579 1/20 0.37
METAP1 P53582 1/20 0.37
CTSK P43235 2/20 0.36

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
SCHEMBL6749700 0.80 CTSS (0.42) CTSSCTSLCTSBMETAP2METAP1
SCHEMBL6700232 0.77 METAP2 (0.35) CTSSCTSLMETAP2METAP1
SCHEMBL6295607 0.73 OPRK1 (0.31)
SCHEMBL5870430 0.72 CTSS (0.42) CTSSCTSLCTSBMETAP2METAP1
SCHEMBL4451525 0.72 EPHX2 (0.46) CTSSCTSLCTSBMETAP2METAP1
SCHEMBL6300518 0.72 ALDH1A1 (0.38) CTSSMETAP2METAP1
SCHEMBL6300240 0.72 OPRK1 (0.32)
SCHEMBL9265345 0.71 SLC1A3 (0.45) CTSSCTSLCTSBMETAP2METAP1
SCHEMBL6062939 0.71 CTSS (0.57) CTSSCTSLCTSBCTSK
SCHEMBL6702132 0.70 GRIA2 (0.38)

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-6958358-B2 administering a cystatin; 4-tert-Butyl-N-[2-(4-hydroxyphenyl)-1S-(3-oxo-hexahydrocyclopenta[b]furan-3a-ylcarbamoyl)-ethyl]benzamide; bioassay for validation of efficacy ; Chagas' disease; parasiticide, trypanocide AMURA THERAPEUTICS LIMITED (GB) 2005-10-25 US disclosed
US-20040106805-A1 Inhibitors of cruzipain and other cysteine proteases AMURA THERAPEUTICS LIMITED (GB) 2004-06-03 US disclosed
EP-1358176-A2 INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES Amura Therapeutics Limited (GB) 2003-11-05 EP disclosed
WO-2002057246-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-20040106805-A1 Inhibitors of cruzipain and other cysteine proteases CTRL, CPN1, CPA1 CTSS 19/4885CTSL 15/4885CTSB 33/4885

“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.