SCHEMBL6798408

SCHEMBL6798408

O=C(NC(CC1CC1)C(=O)N1CCC2OCC(=O)C21)c1cnccc1-c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSS P25774 10/20 0.65
CTSV O60911 4/20 0.65
CTSL P07711 3/20 0.65
CTSK P43235 8/20 0.48
GSK3A P49840 1/20 0.36
ROCK2 O75116 3/20 0.36
CYP46A1 Q9Y6A2 2/20 0.35
PREP P48147 1/20 0.35
FAP Q12884 1/20 0.35
F2RL1 P55085 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
SCHEMBL6805371 0.91 CTSS (0.54) CTSSCTSVCTSLCTSKROCK2
SCHEMBL6798333 0.90 CTSK (0.60) CTSSCTSVCTSLCTSK
SCHEMBL6802929 0.90 CTSS (0.53) CTSSCTSVCTSLCTSKROCK2
SCHEMBL6804944 0.90 CTSS (0.53) CTSSCTSVCTSLCTSKROCK2
SCHEMBL6808737 0.89 CTSS (0.52) CTSSCTSVCTSLCTSKROCK2
SCHEMBL6802332 0.88 CTSS (0.51) CTSSCTSVCTSLCTSKROCK2
SCHEMBL6797583 0.87 CTSS (0.51) CTSSCTSVCTSLCTSKROCK2
SCHEMBL6798994 0.87 CTSS (0.51) CTSSCTSVCTSLCTSKGSK3A
SCHEMBL6808187 0.87 CTSS (0.51) CTSSCTSVCTSLCTSKROCK2
SCHEMBL6803432 0.87 CTSS (0.51) CTSSCTSVCTSLCTSKROCK2

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 CTSS 39/4885CTSV 27/4885CTSL 23/4885

“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.