SCHEMBL6800368

SCHEMBL6800368

CC(C)CC(OCc1ccc(C(C)(C)C)cc1)C(=O)N1CCC2OCC(=O)C21

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSK P43235 9/20 0.64
CTSS P25774 7/20 0.43
CTSV O60911 4/20 0.42
CTSL P07711 3/20 0.42
SLC6A5 Q9Y345 1/20 0.35
GRIN2B Q13224 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
LIPE Q05469 1/20 0.33
PREP P48147 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL4452884 0.88 CTSK (0.51) CTSKCTSSCTSVCTSL
SCHEMBL13677133 0.88 CTSK (0.51) CTSKCTSSCTSVCTSL
SCHEMBL13677146 0.83 CTSK (0.46) CTSKCTSSCTSVCTSLPREP
SCHEMBL4455981 0.83 CTSK (0.46) CTSKCTSSCTSVCTSLPREP
SCHEMBL4456177 0.83 CTSK (0.66) CTSKCTSSCTSVCTSLTRPV1
SCHEMBL13677285 0.83 CTSK (0.66) CTSKCTSSCTSVCTSLTRPV1
SCHEMBL4452664 0.78 CTSK (1.00) CTSKCTSSCTSVCTSL
SCHEMBL12109017 0.78 CTSK (1.00) CTSKCTSSCTSVCTSL
SCHEMBL5253382 0.78 CTSK (1.00) CTSKCTSSCTSVCTSL
SCHEMBL6803808 0.76 CTSK (0.55) CTSKCTSSCTSVCTSLTRPV1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040138250-A1 Inhibitors of cruzipain and other cysteine proteases GRUNENTHAL GMBH (DE) 2004-07-15 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-20040138250-A1 Inhibitors of cruzipain and other cysteine proteases CPN1, CTRL, CPA1 CTSK 62/4885CTSS 39/4885CTSV 27/4885

“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.