SCHEMBL5870559

SCHEMBL5870559

CC(C)CC(OC(=O)n1ccc(-c2ccccc2)c1)C(=O)NC1C(=O)COC1C

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSK P43235 7/20 0.39
NAAA Q02083 5/20 0.37
CTSL P07711 4/20 0.36
CTSS P25774 3/20 0.36
TSHR P16473 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CASP1 P29466 2/20 0.34
CASP3 P42574 2/20 0.34
CASP7 P55210 2/20 0.34
CASP6 P55212 2/20 0.34
CASP8 Q14790 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
POLB P06746 1/20 0.32
MME P08473 1/20 0.32
ACE P12821 1/20 0.32

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
SCHEMBL5870433 0.86 NAAA (0.39) CTSKNAAACTSS
SCHEMBL5870292 0.77 ABHD6 (0.42) MEN1KMT2AACE
SCHEMBL5870565 0.73 CTSK (0.41) CTSKCTSLCTSS
SCHEMBL5744398 0.72 CTSK (0.67) CTSKCTSLCTSS
SCHEMBL5870423 0.70 NAAA (0.47) CTSKNAAACTSS
SCHEMBL5870569 0.69 NAAA (0.46) CTSKNAAACTSS
SCHEMBL5745640 0.67 CTSK (0.38) CTSKCTSLCTSSMMEACE
SCHEMBL5745007 0.67 CTSK (0.52) CTSKCTSLCTSSCASP1CASP3
SCHEMBL5742121 0.67 CTSK (0.56) CTSKCTSLCTSSCASP1CASP3
SCHEMBL5742914 0.67 CTSK (0.56) CTSKCTSLCTSSCASP1CASP3

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-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

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 CTSK 58/4885NAAA 1250/4885CTSL 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.