SCHEMBL4446606

SCHEMBL4446606

O=C(NC(Cc1ccc(O)cc1)C(=O)N1CCC=C2OCC(=O)C21)c1ccc(-c2ccccc2)nc1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
HPGDS O60760 11/20 0.39
ACE P12821 1/20 0.38
PSMB10 P40306 1/20 0.37
PSMB2 P49721 1/20 0.37
ROCK2 O75116 2/20 0.36
BAZ2B Q9UIF8 1/20 0.36
TSHR P16473 1/20 0.36
ACE2 Q9BYF1 1/20 0.36
USP30 Q70CQ3 1/20 0.36

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 0.89 ACE (0.47) ITGB3ITGA2BACETSHRACE2
SCHEMBL6798801 0.85 ACE (0.43) ITGB3ITGA2BACETSHRACE2
SCHEMBL6801715 0.84 ROCK2 (0.39) ACEROCK2ACE2
SCHEMBL4454262 0.83 ITGB3 (0.42) ITGB3ITGA2BACETSHRACE2
SCHEMBL6804307 0.83 KMT2A (0.49) ACETSHRACE2
SCHEMBL6803819 0.82 ITGB3 (0.37) ITGB3ITGA2BACEROCK2TSHR
SCHEMBL4458967 0.82 CTSK (0.47) ITGB3ITGA2BACETSHRACE2
SCHEMBL4452835 0.82 ITGB3 (0.41) ITGB3ITGA2BACETSHRACE2
SCHEMBL4458898 0.82 ITGB3 (0.41) ITGB3ITGA2BACETSHR
SCHEMBL6798893 0.82 CHRNA1 (0.42) ACE2

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 3 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20090247471-A1 INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES CPN1, CTRL, CPA1 ITGB3 2837/4885ITGA2B 1887/4885HPGDS 1077/4885

“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.