SCHEMBL6800592

SCHEMBL6800592

NC(CC1CCCCC1)C(=O)N1CCC2OCC(=O)C21

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSS P25774 8/20 0.60
CTSV O60911 6/20 0.60
CTSL P07711 5/20 0.60
CTSK P43235 6/20 0.51
DPP7 Q9UHL4 3/20 0.37
HRH2 P25021 1/20 0.35
HRH1 P35367 1/20 0.35
DPP4 P27487 2/20 0.33
CTSC P53634 1/20 0.32
DPP8 Q6V1X1 1/20 0.32
DPP9 Q86TI2 1/20 0.32
CTSB P07858 1/20 0.31

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
SCHEMBL6802617 0.99 CTSS (0.59) CTSSCTSVCTSLCTSKDPP7
SCHEMBL6802278 0.94 CTSS (0.54) CTSSCTSVCTSLCTSKDPP7
SCHEMBL5258757 0.94 CTSS (0.53) CTSSCTSVCTSLCTSKDPP7
SCHEMBL6802499 0.93 CTSS (0.53) CTSSCTSVCTSLCTSKDPP7
SCHEMBL5098255 0.81 CTSK (0.55) CTSSCTSVCTSLCTSKDPP7
SCHEMBL5254912 0.80 CTSK (0.47) CTSSCTSVCTSLCTSKDPP7
SCHEMBL5258460 0.79 DPP4 (0.52) CTSSCTSVCTSLCTSKDPP7
SCHEMBL13677278 0.77 CTSS (0.52) CTSSCTSVCTSLCTSK
SCHEMBL4452842 0.77 CTSS (0.52) CTSSCTSVCTSLCTSK
SCHEMBL4452893 0.77 CTSS (0.52) 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.