SCHEMBL4451224

SCHEMBL4451224

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.41
ITGA2B P08514 3/20 0.41
ACE P12821 2/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CYP51A1 Q16850 1/20 0.35
LNPEP Q9UIQ6 1/20 0.34
IDO1 P14902 1/20 0.34
TSHR P16473 1/20 0.34
ALOX15 P16050 1/20 0.34
GFER P55789 1/20 0.34
ADAM17 P78536 1/20 0.34
ITGB1 P05556 1/20 0.33
ITGA4 P13612 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33

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
SCHEMBL4454188 0.89 ITGB3 (0.40) ITGB3ITGA2BACECA1CA2
SCHEMBL6798801 0.89 ACE (0.43) ITGB3ITGA2BACETSHRADAM17
SCHEMBL4458898 0.87 ITGB3 (0.41) ITGB3ITGA2BACECA1CA2
SCHEMBL4454262 0.87 ITGB3 (0.42) ITGB3ITGA2BACECA1CA2
SCHEMBL4452919 0.87 ACE (0.47) ITGB3ITGA2BACETSHRKMT2A
SCHEMBL4452835 0.86 ITGB3 (0.41) ITGB3ITGA2BACECA1CA2
SCHEMBL4458967 0.86 CTSK (0.47) ITGB3ITGA2BACECA1CA2
SCHEMBL4449465 0.85 ITGB3 (0.40) ITGB3ITGA2BACECA1CA2
SCHEMBL4450210 0.85 CTSK (0.41) ITGB3ITGA2BACECA1CA2
SCHEMBL5096314 0.82 HPGDS (0.47) ITGB3ITGA2BACE

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 1974/4885ACE 371/4885
US-20090247471-A1 INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES CPN1, CTRL, CPA1 ITGB3 2837/4885ITGA2B 1887/4885ACE 267/4885

“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.