SCHEMBL4449833

SCHEMBL4449833

O=C1COC2CCN(C(=O)C(CC(=O)N3CCc4ccccc4C3)Cc3ccc(O)cc3)C12

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 4/20 0.48
DPP8 Q6V1X1 2/20 0.43
DPP7 Q9UHL4 2/20 0.43
CTSS P25774 4/20 0.41
CTSV O60911 3/20 0.41
CTSL P07711 3/20 0.41
CTSK P43235 3/20 0.41
DPP4 P27487 1/20 0.40
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
ALDH1A1 P00352 2/20 0.38
TSHR P16473 1/20 0.38
KMT2A Q03164 1/20 0.38
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAPT P10636 1/20 0.37
TDP1 Q9NUW8 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
SCHEMBL4457969 0.96 HDAC8 (0.44) HDAC8DPP8DPP7CTSSCTSV
SCHEMBL4452845 0.86 CTSK (0.47) DPP8DPP7CTSSCTSVCTSL
SCHEMBL4457715 0.84 CTSS (0.45) CTSSCTSVCTSLCTSKNPC1
SCHEMBL4456073 0.81 CTSK (0.49) DPP8DPP7CTSSCTSVCTSL
SCHEMBL5255403 0.80 CTSS (0.44) DPP8DPP7CTSSCTSVCTSL
SCHEMBL5870400 0.77 HDAC8 (0.46) HDAC8DPP8DPP7DPP4KDM4E
SCHEMBL7014356 0.76 CTSK (0.37) CTSSCTSVCTSLCTSKDPP4
SCHEMBL5098324 0.75 DPP4 (0.58) HDAC8DPP8DPP7CTSSCTSV
SCHEMBL6753432 0.73 HDAC8 (0.45) HDAC8DPP8DPP7DPP4KDM4E
SCHEMBL13677164 0.73 CTSS (0.70) CTSSCTSVCTSLCTSKTSHR

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 6 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
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 (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 2514/4885DPP8 620/4885DPP7 297/4885
US-20090247471-A1 INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES CPN1, CTRL, CPA1 HDAC8 2385/4885DPP8 600/4885DPP7 401/4885

“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.