SCHEMBL6808313

SCHEMBL6808313

O=C(Cc1ccccc1)NC(CS(=O)(=O)Cc1ccccc1)C(=O)N1CCC2OCC(=O)C21

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSS P25774 6/20 0.53
CTSV O60911 4/20 0.53
CTSL P07711 3/20 0.53
CTSK P43235 4/20 0.49
CCR1 P32246 4/20 0.41
CCKBR P32239 1/20 0.40
CNR2 P34972 2/20 0.37
ALDH1A1 P00352 2/20 0.37
SIGMAR1 Q99720 2/20 0.35
KDM4E B2RXH2 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL6797542 0.95 CTSS (0.49) CTSSCTSVCTSLCTSKCCR1
SCHEMBL6803456 0.91 CTSS (0.51) CTSSCTSVCTSLCTSKCCR1
SCHEMBL4450417 0.89 CTSS (0.67) CTSSCTSVCTSLCTSKCCR1
SCHEMBL6796912 0.87 CTSS (0.60) CTSSCTSVCTSLCTSKCCR1
SCHEMBL13677211 0.87 CTSS (0.60) CTSSCTSVCTSLCTSKCCR1
SCHEMBL4449168 0.87 CTSS (0.60) CTSSCTSVCTSLCTSKCCR1
SCHEMBL6802733 0.86 CTSS (0.48) CTSSCTSVCTSLCTSKCCR1
SCHEMBL6807727 0.85 CTSK (0.64) CTSSCTSVCTSLCTSKCCR1
SCHEMBL4451492 0.85 CTSK (0.64) CTSSCTSVCTSLCTSKCCR1
SCHEMBL7154653 0.85 CTSK (0.64) CTSSCTSVCTSLCTSKCCR1

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.