SCHEMBL4454262

SCHEMBL4454262

O=C(NC(Cc1ccc(O)cc1)C(=O)N1CCC=C2OCC(=O)C21)c1ccc(Br)cc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.42
ITGA2B P08514 3/20 0.42
ACE2 Q9BYF1 2/20 0.40
ACE P12821 1/20 0.39
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CYP51A1 Q16850 1/20 0.37
TSHR P16473 1/20 0.36
FPR2 P25090 2/20 0.36
CYP3A4 P08684 2/20 0.35
UGCG Q16739 2/20 0.35
CTSB P07858 1/20 0.35
CTSL P07711 1/20 0.35
CTSK P43235 1/20 0.35
LNPEP Q9UIQ6 1/20 0.35
KMT2A Q03164 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
SCHEMBL4452919 0.91 ACE (0.47) ITGB3ITGA2BACE2ACETSHR
SCHEMBL4449534 0.90 ACE (0.38) ITGB3ITGA2BACE2ACECA1
SCHEMBL4458898 0.90 ITGB3 (0.41) ITGB3ITGA2BACECA1CA2
SCHEMBL4458967 0.90 CTSK (0.47) ITGB3ITGA2BACE2ACECA1
SCHEMBL4452835 0.90 ITGB3 (0.41) ITGB3ITGA2BACE2ACECA1
SCHEMBL4449465 0.89 ITGB3 (0.40) ITGB3ITGA2BACE2ACECA1
SCHEMBL4450210 0.89 CTSK (0.41) ITGB3ITGA2BACE2ACECA1
SCHEMBL6798801 0.87 ACE (0.43) ITGB3ITGA2BACE2ACETSHR
SCHEMBL4451224 0.87 ITGB3 (0.41) ITGB3ITGA2BACECA1CA2
SCHEMBL4454188 0.87 ITGB3 (0.40) ITGB3ITGA2BACECA1CA2

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 ITGB3 3028/4885ITGA2B 1974/4885ACE2 507/4885
US-20090247471-A1 INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES CPN1, CTRL, CPA1 ITGB3 2837/4885ITGA2B 1887/4885ACE2 830/4885

“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.