SCHEMBL6804944

SCHEMBL6804944

O=C(NC(Cc1ccncc1)C(=O)N1CCC2OCC(=O)C21)c1cnccc1-c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSS P25774 7/20 0.53
CTSV O60911 4/20 0.53
CTSL P07711 3/20 0.53
CTSK P43235 5/20 0.48
ROCK2 O75116 6/20 0.42
FNTA P49354 1/20 0.38
FNTB P49356 1/20 0.38
PGGT1B P53609 1/20 0.38
TACR2 P21452 1/20 0.37
CAPN1 P07384 1/20 0.36
CYP46A1 Q9Y6A2 1/20 0.35
ITGA4 P13612 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 0.97 CTSS (0.54) CTSSCTSVCTSLCTSKROCK2
SCHEMBL6802332 0.94 CTSS (0.51) CTSSCTSVCTSLCTSKROCK2
SCHEMBL6808187 0.94 CTSS (0.51) CTSSCTSVCTSLCTSKROCK2
SCHEMBL6797583 0.94 CTSS (0.51) CTSSCTSVCTSLCTSKROCK2
SCHEMBL6798994 0.94 CTSS (0.51) CTSSCTSVCTSLCTSKROCK2
SCHEMBL6803432 0.94 CTSS (0.51) CTSSCTSVCTSLCTSKROCK2
SCHEMBL6808737 0.94 CTSS (0.52) CTSSCTSVCTSLCTSKROCK2
SCHEMBL6799215 0.91 CTSS (0.49) CTSSCTSVCTSLCTSKROCK2
SCHEMBL6798408 0.90 CTSS (0.65) CTSSCTSVCTSLCTSKROCK2
SCHEMBL6798333 0.90 CTSK (0.60) CTSSCTSVCTSLCTSKFNTA

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.