SCHEMBL5255403

SCHEMBL5255403

O=C1COC2CCN(C(=O)C(CC(=O)n3ccc(-c4ccccc4)c3)Cc3ccc(O)cc3)C12

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSS P25774 6/20 0.44
CTSV O60911 4/20 0.44
CTSL P07711 3/20 0.44
CTSK P43235 4/20 0.42
ACE2 Q9BYF1 1/20 0.34
DPP4 P27487 2/20 0.34
ACE P12821 1/20 0.34
LTA4H P09960 5/20 0.34
GNA11 P29992 1/20 0.34
GNAQ P50148 1/20 0.34
FAP Q12884 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33
DPP7 Q9UHL4 1/20 0.33

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
SCHEMBL6804330 0.86 CTSK (0.48) CTSSCTSVCTSLCTSK
SCHEMBL4457969 0.82 HDAC8 (0.44) CTSSCTSVCTSLCTSKDPP4
SCHEMBL4457715 0.81 CTSS (0.45) CTSSCTSVCTSLCTSK
SCHEMBL4449833 0.80 HDAC8 (0.48) CTSSCTSVCTSLCTSKDPP4
SCHEMBL13677165 0.77 CTSS (0.65) CTSSCTSVCTSLCTSKACE2
SCHEMBL7024241 0.77 CTSS (0.65) CTSSCTSVCTSLCTSKACE2
SCHEMBL5098324 0.76 DPP4 (0.58) CTSSCTSVCTSLCTSKDPP4
SCHEMBL5870582 0.76 MMP9 (0.41) CTSSCTSKACE
SCHEMBL7100155 0.75 CTSS (0.70) CTSSCTSVCTSLCTSKACE2
SCHEMBL4454178 0.75 CTSS (0.70) CTSSCTSVCTSLCTSKACE2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1362052-B1 INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2007-03-07 EP disclosed
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.