SCHEMBL6797513

SCHEMBL6797513

O=C(NC(Cc1ccc(F)cc1)C(=O)N1CCC2OCC(=O)C21)c1ccc(-c2cccs2)cc1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSK P43235 12/20 0.53
CTSS P25774 9/20 0.53
CTSL P07711 6/20 0.53
CTSV O60911 4/20 0.53
DRD4 P21917 3/20 0.48
HTR2A P28223 3/20 0.48
DRD2 P14416 2/20 0.48
HPGDS O60760 1/20 0.48

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
SCHEMBL13677189 1.00 CTSK (0.53) CTSKCTSSCTSLCTSVDRD4
SCHEMBL4444764 1.00 CTSK (0.53) CTSKCTSSCTSLCTSVDRD4
SCHEMBL4455853 0.93 CTSK (0.54) CTSKCTSSCTSLCTSVDRD4
SCHEMBL6803573 0.93 CTSK (0.54) CTSKCTSSCTSLCTSVDRD4
SCHEMBL13677168 0.93 CTSK (0.54) CTSKCTSSCTSLCTSVDRD4
SCHEMBL4456315 0.93 CTSS (0.60) CTSKCTSSCTSLCTSVDRD4
SCHEMBL5104861 0.92 CTSS (0.53) CTSKCTSSCTSLCTSVDRD4
SCHEMBL6803643 0.92 CTSK (0.53) CTSKCTSSCTSLCTSVDRD4
SCHEMBL5098330 0.92 CTSK (0.53) CTSKCTSSCTSLCTSVDRD4
SCHEMBL6803369 0.91 CTSK (0.54) CTSKCTSSCTSLCTSVDRD4

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 39/4885CTSL 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.