SCHEMBL6801462

SCHEMBL6801462

O=C(CCc1ccccc1)NC(Cc1ccc(O)cc1)C(=O)N1CCCC2OCC(=O)C21

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSS P25774 4/20 0.51
CTSV O60911 3/20 0.51
CTSL P07711 3/20 0.51
ACE2 Q9BYF1 1/20 0.46
CTSK P43235 2/20 0.45
ACE P12821 1/20 0.45
OPRM1 P35372 1/20 0.42
GRIA1 P42261 1/20 0.42
CCR1 P32246 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
SCHEMBL4449529 0.96 CTSS (0.54) CTSSCTSVCTSLACE2CTSK
SCHEMBL5104927 0.95 CTSS (0.54) CTSSCTSVCTSLACE2CTSK
SCHEMBL4449120 0.95 CTSS (0.54) CTSSCTSVCTSLACE2CTSK
SCHEMBL13677233 0.95 CTSS (0.54) CTSSCTSVCTSLACE2CTSK
SCHEMBL6798884 0.91 CTSS (0.52) CTSSCTSVCTSLACE2CTSK
SCHEMBL7096816 0.90 CTSS (0.58) CTSSCTSVCTSLCTSKCCR1
SCHEMBL13677254 0.90 CTSS (0.58) CTSSCTSVCTSLCTSKCCR1
SCHEMBL4457823 0.90 CTSS (0.58) CTSSCTSVCTSLCTSKCCR1
SCHEMBL4451252 0.90 CTSS (0.58) CTSSCTSVCTSLCTSKCCR1
SCHEMBL13677368 0.88 CTSS (0.66) CTSSCTSVCTSLACE2CTSK

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.