SCHEMBL4456073

SCHEMBL4456073

CC(C)CC(CC(=O)N1Cc2ccccc2C1)C(=O)N1CCC2OCC(=O)C21

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.49
CTSS P25774 6/20 0.46
CTSV O60911 4/20 0.46
CTSL P07711 3/20 0.46
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
DPP8 Q6V1X1 5/20 0.39
DPP4 P27487 3/20 0.39
NAMPT P43490 3/20 0.39
DPP7 Q9UHL4 3/20 0.39
ACE P12821 1/20 0.37
POLB P06746 1/20 0.36
MMP1 P03956 1/20 0.35
MMP3 P08254 1/20 0.35
MMP9 P14780 1/20 0.35

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
SCHEMBL4452845 0.95 CTSK (0.47) CTSKCTSSCTSVCTSLMEN1
SCHEMBL4457969 0.85 HDAC8 (0.44) CTSKCTSSCTSVCTSLDPP8
SCHEMBL7102302 0.85 CTSS (0.47) CTSKCTSSCTSVCTSLKMT2A
SCHEMBL4451945 0.84 CTSK (0.48) CTSKCTSSCTSVCTSLMEN1
SCHEMBL4449833 0.81 HDAC8 (0.48) CTSKCTSSCTSVCTSLKMT2A
SCHEMBL6804330 0.81 CTSK (0.48) CTSKCTSSCTSVCTSLMEN1
SCHEMBL4221598 0.74 CTSK (0.54) CTSKCTSSMEN1KMT2ATAAR1
SCHEMBL5942234 0.74 CTSK (0.54) CTSKCTSSMEN1KMT2ATAAR1
SCHEMBL5942231 0.74 CTSK (0.54) CTSKCTSSMEN1KMT2ATAAR1
SCHEMBL4221599 0.74 CTSK (0.54) CTSKCTSSMEN1KMT2ATAAR1

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 62/4885CTSS 39/4885CTSV 27/4885
US-20090247471-A1 INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES CPN1, CTRL, CPA1 CTSK 45/4885CTSS 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.