SCHEMBL6300585

SCHEMBL6300585

CC(C)(C)c1ccc(C(=O)NC(Cc2ccc(O)cc2)C(=O)NC23CCCC2OCC3=O)cc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSL P07711 3/20 0.39
CTSK P43235 4/20 0.39
ESRRG P62508 3/20 0.38
CTSB P07858 3/20 0.37
CTSS P25774 2/20 0.37
ESRRB O95718 1/20 0.37
LNPEP Q9UIQ6 1/20 0.37
CA1 P00915 3/20 0.36
CA2 P00918 2/20 0.36
CA12 O43570 2/20 0.36
CA9 Q16790 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
GRIA1 P42261 1/20 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
SCHEMBL6300662 1.00 CTSL (0.39) CTSLCTSKESRRGCTSBCTSS
SCHEMBL6696901 0.93 USP30 (0.42) CTSLCTSKCTSBCTSSCA2
SCHEMBL6698646 0.92 MEN1 (0.39) CTSLCTSKCTSBCTSSCA2
SCHEMBL6294790 0.92 CTSL (0.39) CTSLCTSKCTSBCTSSLNPEP
SCHEMBL6295603 0.90 TACR2 (0.40) CTSLCTSKCTSBCTSSLNPEP
SCHEMBL6294822 0.89 CTSB (0.49) CTSLCTSKCTSBCTSSLNPEP
SCHEMBL6699255 0.89 CTSL (0.40) CTSLCTSKCTSBCTSS
SCHEMBL6294856 0.87 KLKB1 (0.43) CTSLCTSKCTSBCTSS
SCHEMBL6701483 0.86 CTSK (0.54) CTSLCTSKCTSBCTSS
SCHEMBL6300604 0.86 CTSL (0.38) CTSLCTSKCTSBCTSSLNPEP

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 CTSL 15/4885CTSK 46/4885ESRRG 4247/4885

“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.