SCHEMBL4444732

SCHEMBL4444732

O=C(NC(Cc1ccc(O)cc1)C(=O)N1CCC2OCC(=O)C21)c1ccc(Br)cc1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSK P43235 8/20 0.61
CTSS P25774 6/20 0.58
CTSV O60911 4/20 0.58
CTSL P07711 3/20 0.58
ITGB3 P05106 3/20 0.43
ITGA2B P08514 3/20 0.43
ACE P12821 1/20 0.41
ACE2 Q9BYF1 1/20 0.41
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CYP3A4 P08684 1/20 0.38
UGCG Q16739 1/20 0.38

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
SCHEMBL4459563 0.96 CTSK (0.65) CTSKCTSSCTSVCTSLACE2
SCHEMBL4454257 0.95 CTSK (0.54) CTSKCTSSCTSVCTSLITGB3
SCHEMBL4456032 0.92 CTSK (0.60) CTSKCTSSCTSVCTSLACE2
SCHEMBL4448188 0.92 CTSK (0.60) CTSKCTSSCTSVCTSLITGB3
SCHEMBL4458885 0.92 CTSK (0.60) CTSKCTSSCTSVCTSLACE2
SCHEMBL4448440 0.92 CTSS (0.67) CTSKCTSSCTSVCTSLACE
SCHEMBL6798768 0.92 CTSS (0.69) CTSKCTSSCTSVCTSLACE
SCHEMBL4454178 0.91 CTSS (0.70) CTSKCTSSCTSVCTSLITGB3
SCHEMBL7100155 0.91 CTSS (0.70) CTSKCTSSCTSVCTSLITGB3
SCHEMBL13677164 0.91 CTSS (0.70) CTSKCTSSCTSVCTSLITGB3

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.