SCHEMBL4457969

SCHEMBL4457969

O=C1COC2CCN(C(=O)C(CC(=O)N3Cc4ccccc4C3)Cc3ccc(O)cc3)C12

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 5/20 0.44
CTSS P25774 6/20 0.43
CTSV O60911 4/20 0.43
CTSK P43235 4/20 0.43
CTSL P07711 3/20 0.43
DPP8 Q6V1X1 2/20 0.37
DPP4 P27487 2/20 0.37
DPP7 Q9UHL4 1/20 0.36
CALCRL Q16602 1/20 0.36
ACE P12821 1/20 0.35
OPRD1 P41143 1/20 0.35
LTA4H P09960 1/20 0.34

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
SCHEMBL4449833 0.96 HDAC8 (0.48) HDAC8CTSSCTSVCTSKCTSL
SCHEMBL4457715 0.86 CTSS (0.45) CTSSCTSVCTSKCTSL
SCHEMBL4456073 0.85 CTSK (0.49) CTSSCTSVCTSKCTSLDPP8
SCHEMBL5255403 0.82 CTSS (0.44) CTSSCTSVCTSKCTSLDPP8
SCHEMBL4452845 0.81 CTSK (0.47) CTSSCTSVCTSKCTSLDPP8
SCHEMBL7014356 0.78 CTSK (0.37) CTSSCTSVCTSKCTSLDPP4
SCHEMBL5098324 0.77 DPP4 (0.58) HDAC8CTSSCTSVCTSKCTSL
SCHEMBL7100155 0.75 CTSS (0.70) CTSSCTSVCTSKCTSLACE
SCHEMBL13677164 0.75 CTSS (0.70) CTSSCTSVCTSKCTSLACE
SCHEMBL4454178 0.75 CTSS (0.70) CTSSCTSVCTSKCTSLACE

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
US-20090247471-A1 INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES AMURA THERAPEUTICS LTD. (GB) 2009-10-01 US disclosed
US-7425562-B2 Inhibitors of cruzipain and other cysteine proteases AMURA THERAPEUTICS LTD. (GB) 2008-09-16 US disclosed
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 HDAC8 2514/4885CTSS 39/4885CTSV 27/4885
US-20090247471-A1 INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES CPN1, CTRL, CPA1 HDAC8 2385/4885CTSS 21/4885CTSV 18/4885

“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.