SCHEMBL6803715

SCHEMBL6803715

O=C1COC2CCN(C(=O)C(CC3CCCCC3)SCc3ccco3)C12

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSS P25774 8/20 0.56
CTSV O60911 6/20 0.56
CTSL P07711 5/20 0.56
CTSK P43235 6/20 0.48
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 3/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TP53 P04637 1/20 0.32
PER2 O15055 1/20 0.31
CRY1 Q16526 1/20 0.31
CRY2 Q49AN0 1/20 0.31
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
SCHEMBL4452935 0.95 CTSS (0.51) CTSSCTSVCTSLCTSKTDP1
SCHEMBL13677357 0.95 CTSS (0.51) CTSSCTSVCTSLCTSKTDP1
SCHEMBL13677390 0.95 CTSS (0.51) CTSSCTSVCTSLCTSKTDP1
SCHEMBL6803771 0.83 CTSS (0.54) CTSSCTSVCTSLCTSK
SCHEMBL4449426 0.82 CTSS (0.54) CTSSCTSVCTSLCTSKTDP1
SCHEMBL13677286 0.82 CTSS (0.54) CTSSCTSVCTSLCTSKTDP1
SCHEMBL4452957 0.82 CTSS (0.54) CTSSCTSVCTSLCTSKTDP1
SCHEMBL4450179 0.79 CTSS (0.49) CTSSCTSVCTSLCTSK
SCHEMBL13677386 0.78 CTSS (0.49) CTSSCTSVCTSLCTSKTDP1
SCHEMBL13677361 0.78 CTSS (0.49) CTSSCTSVCTSLCTSKTDP1

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.