SCHEMBL6808737

SCHEMBL6808737

O=C(NC(Cc1cccnc1)C(=O)N1CCC2OCC(=O)C21)c1cnccc1-c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSS P25774 9/20 0.52
CTSV O60911 4/20 0.52
CTSL P07711 4/20 0.52
CTSK P43235 7/20 0.47
ACE P12821 2/20 0.42
ROCK2 O75116 4/20 0.41
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
TAAR1 Q96RJ0 1/20 0.38
CTSB P07858 1/20 0.37
CYP51A1 Q16850 1/20 0.37

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 0.96 CTSS (0.54) CTSSCTSVCTSLCTSKACE
SCHEMBL6804944 0.94 CTSS (0.53) CTSSCTSVCTSLCTSKROCK2
SCHEMBL6802332 0.91 CTSS (0.51) CTSSCTSVCTSLCTSKACE
SCHEMBL6799215 0.91 CTSS (0.49) CTSSCTSVCTSLCTSKROCK2
SCHEMBL6797583 0.91 CTSS (0.51) CTSSCTSVCTSLCTSKROCK2
SCHEMBL6803432 0.91 CTSS (0.51) CTSSCTSVCTSLCTSKROCK2
SCHEMBL6808187 0.91 CTSS (0.51) CTSSCTSVCTSLCTSKROCK2
SCHEMBL6798994 0.91 CTSS (0.51) CTSSCTSVCTSLCTSKROCK2
SCHEMBL6802929 0.89 CTSS (0.53) CTSSCTSVCTSLCTSKROCK2
SCHEMBL6798333 0.89 CTSK (0.60) CTSSCTSVCTSLCTSK

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.