SCHEMBL6804272

SCHEMBL6804272

O=C(NC(Cc1cccs1)C(=O)N1CCC2OCC(=O)C21)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSS P25774 8/20 0.60
CTSV O60911 6/20 0.60
CTSL P07711 5/20 0.60
CTSK P43235 14/20 0.56
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
ADAM17 P78536 1/20 0.38
KDM1A O60341 1/20 0.37
CTSB P07858 1/20 0.37

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
SCHEMBL6807943 0.93 CTSS (0.57) CTSSCTSVCTSLCTSK
SCHEMBL6797981 0.92 CTSS (0.69) CTSSCTSVCTSLCTSKCTSB
SCHEMBL4452629 0.89 CTSK (0.55) CTSSCTSVCTSLCTSK
SCHEMBL6805474 0.89 CTSS (0.65) CTSSCTSVCTSLCTSK
SCHEMBL5258667 0.89 CTSK (0.56) CTSSCTSVCTSLCTSK
SCHEMBL4449564 0.88 CTSK (0.59) CTSSCTSVCTSLCTSK
SCHEMBL4446428 0.87 CTSK (0.63) CTSSCTSVCTSLCTSK
SCHEMBL6804162 0.87 CTSS (0.60) CTSSCTSVCTSLCTSK
SCHEMBL6798717 0.86 CTSK (0.57) CTSSCTSVCTSLCTSK
SCHEMBL5256435 0.86 CTSK (0.75) 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.