SCHEMBL4452845

SCHEMBL4452845

CC(C)CC(CC(=O)N1CCc2ccccc2C1)C(=O)N1CCC2OCC(=O)C21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.47
DPP8 Q6V1X1 5/20 0.46
DPP7 Q9UHL4 3/20 0.46
TAAR1 Q96RJ0 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
CTSS P25774 4/20 0.44
CTSV O60911 3/20 0.44
CTSL P07711 3/20 0.44
DPP4 P27487 3/20 0.42
ACE P12821 2/20 0.42
POLB P06746 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MMP1 P03956 1/20 0.39
MMP3 P08254 1/20 0.39
MMP9 P14780 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL4456073 0.95 CTSK (0.49) CTSKDPP8DPP7TAAR1MEN1
SCHEMBL4449833 0.86 HDAC8 (0.48) CTSKDPP8DPP7KMT2ACTSS
SCHEMBL7102302 0.83 CTSS (0.47) CTSKKMT2ACTSSCTSVCTSL
SCHEMBL4451945 0.81 CTSK (0.48) CTSKMEN1KMT2ACTSSCTSV
SCHEMBL4457969 0.81 HDAC8 (0.44) CTSKDPP8DPP7CTSSCTSV
SCHEMBL4221598 0.79 CTSK (0.54) CTSKDPP8DPP7TAAR1MEN1
SCHEMBL5942231 0.79 CTSK (0.54) CTSKDPP8DPP7TAAR1MEN1
SCHEMBL4221599 0.79 CTSK (0.54) CTSKDPP8DPP7TAAR1MEN1
SCHEMBL5942234 0.79 CTSK (0.54) CTSKDPP8DPP7TAAR1MEN1
SCHEMBL6804330 0.78 CTSK (0.48) CTSKMEN1KMT2ACTSSCTSV

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 CTSK 62/4885DPP8 620/4885DPP7 297/4885
US-20090247471-A1 INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES CPN1, CTRL, CPA1 CTSK 45/4885DPP8 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.