SCHEMBL6295541

SCHEMBL6295541

CC(C)c1ccc(C(=O)NC(Cc2cccc(O)c2)C(=O)NC23CCCC2OCC3=O)cc1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 1/20 0.39
CTSL P07711 11/20 0.38
CTSK P43235 11/20 0.38
CTSB P07858 13/20 0.37
CTSS P25774 11/20 0.37
HPGDS O60760 1/20 0.37
CTSV O60911 2/20 0.36
GPR139 Q6DWJ6 1/20 0.35

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
SCHEMBL6295603 0.90 TACR2 (0.40) TACR2CTSLCTSKCTSBCTSS
SCHEMBL6294793 0.90 CTSB (0.45) CTSLCTSKCTSBCTSSHPGDS
SCHEMBL6295787 0.89 CTSL (0.46) CTSLCTSKCTSBCTSSHPGDS
SCHEMBL6702836 0.88 CTSL (0.41) TACR2CTSLCTSKCTSBCTSS
SCHEMBL6698937 0.87 TACR2 (0.40) TACR2CTSLCTSKCTSBCTSS
SCHEMBL6300636 0.87 CTSL (0.41) TACR2CTSLCTSKCTSBCTSS
SCHEMBL6295728 0.87 CTSL (0.36) TACR2CTSLCTSKCTSBCTSS
SCHEMBL6295797 0.86 KLKB1 (0.43) CTSLCTSKCTSBCTSS
SCHEMBL6702085 0.86 HPGDS (0.45) CTSLCTSKCTSBCTSSHPGDS
SCHEMBL6699225 0.84 CTSK (0.53) CTSLCTSKCTSBCTSS

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 2 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

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 TACR2 4235/4885CTSL 15/4885CTSK 46/4885

“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.