SCHEMBL4446769

SCHEMBL4446769

CC(CCNC(=O)c1cccc(Br)c1)CC(=O)N1CCC2OCC(=O)C21

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSS P25774 6/20 0.44
CTSK P43235 4/20 0.43
CTSV O60911 4/20 0.43
CTSL P07711 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAPT P10636 2/20 0.41
HPGD P15428 1/20 0.41
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
TP53BP1 Q12888 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL4452660 0.89 CTSK (0.49) CTSSCTSKCTSVCTSLHPGD
SCHEMBL4451610 0.89 CTSS (0.55) CTSSCTSKCTSVCTSLNPC1
SCHEMBL4458871 0.87 CTSS (0.46) CTSSCTSKCTSVCTSLALDH1A1
SCHEMBL4452707 0.85 CTSK (0.50) CTSSCTSKCTSVCTSLCYP2C19
SCHEMBL7019711 0.85 LMNA (0.52) CTSSCTSKCTSVCTSLL3MBTL1
SCHEMBL7014847 0.84 CTSK (0.44) CTSSCTSKCTSVCTSLHPGD
SCHEMBL4452610 0.84 CTSK (0.49) CTSSCTSKCTSVCTSLHPGD
SCHEMBL4459112 0.84 CTSS (0.50) CTSSCTSKCTSVCTSL
SCHEMBL4452668 0.83 CTSK (0.62) CTSSCTSKCTSVCTSLL3MBTL1
SCHEMBL7017832 0.83 RAB9A (0.45) CTSSCTSKCTSVCTSLALDH1A1

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 CTSS 39/4885CTSK 62/4885CTSV 27/4885
US-20090247471-A1 INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES CPN1, CTRL, CPA1 CTSS 21/4885CTSK 45/4885CTSV 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.