SCHEMBL6802966

SCHEMBL6802966

O=C(NC(Cc1ccc(O)cc1)C(=O)N1CCC2OCC(=O)C21)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSS P25774 6/20 0.61
CTSV O60911 4/20 0.61
CTSL P07711 3/20 0.61
CTSK P43235 6/20 0.56
ACE P12821 4/20 0.46
CHRM4 P08173 1/20 0.44
ITGB3 P05106 1/20 0.44
ITGA2B P08514 1/20 0.44
TSHR P16473 1/20 0.42
ACE2 Q9BYF1 2/20 0.41
ITGB1 P05556 1/20 0.40
ITGA4 P13612 1/20 0.40

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
SCHEMBL6798797 0.96 CTSS (0.58) CTSSCTSVCTSLCTSKACE
SCHEMBL6805474 0.95 CTSS (0.65) CTSSCTSVCTSLCTSKACE
SCHEMBL6803800 0.93 CTSS (0.58) CTSSCTSVCTSLCTSKACE
SCHEMBL5138783 0.92 CTSS (0.60) CTSSCTSVCTSLCTSKACE
SCHEMBL6804078 0.92 CTSS (0.60) CTSSCTSVCTSLCTSKACE
SCHEMBL6803531 0.92 CTSS (0.60) CTSSCTSVCTSLCTSKACE
SCHEMBL4454178 0.92 CTSS (0.70) CTSSCTSVCTSLCTSKACE
SCHEMBL7100155 0.92 CTSS (0.70) CTSSCTSVCTSLCTSKACE
SCHEMBL13677164 0.92 CTSS (0.70) CTSSCTSVCTSLCTSKACE
SCHEMBL4452619 0.92 CTSS (0.70) CTSSCTSVCTSLCTSKACE

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 3 patents. 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
EP-1362052-A1 INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES Amura Therapeutics Limited (GB) 2003-11-19 EP disclosed
WO-2002057270-A1 INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES AMURA THERAPEUTICS LIMITED (GB) 2002-07-25 WO 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.