SCHEMBL6798768

SCHEMBL6798768

O=C(NC(Cc1ccc(Br)cc1)C(=O)N1CCC2OCC(=O)C21)c1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSS P25774 6/20 0.69
CTSV O60911 4/20 0.69
CTSL P07711 3/20 0.69
CTSK P43235 5/20 0.63
ACE2 Q9BYF1 2/20 0.50
TSHR P16473 1/20 0.45
KMT2A Q03164 1/20 0.45
FPR2 P25090 2/20 0.43
ACE P12821 1/20 0.42

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
SCHEMBL4448440 0.96 CTSS (0.67) CTSSCTSVCTSLCTSKACE2
SCHEMBL4459563 0.95 CTSK (0.65) CTSSCTSVCTSLCTSKACE2
SCHEMBL6808619 0.93 CTSS (0.75) CTSSCTSVCTSLCTSKACE2
SCHEMBL4446626 0.93 CTSS (0.75) CTSSCTSVCTSLCTSKACE2
SCHEMBL7106300 0.93 CTSS (0.75) CTSSCTSVCTSLCTSKACE2
SCHEMBL13677203 0.93 CTSS (0.75) CTSSCTSVCTSLCTSKACE2
SCHEMBL6804078 0.92 CTSS (0.60) CTSSCTSVCTSLCTSKACE2
SCHEMBL4455907 0.92 CTSS (0.59) CTSSCTSVCTSLCTSKACE2
SCHEMBL4444732 0.92 CTSK (0.61) CTSSCTSVCTSLCTSKACE2
SCHEMBL7100155 0.91 CTSS (0.70) CTSSCTSVCTSLCTSKACE2

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.