SCHEMBL4452835

SCHEMBL4452835

CC(C)c1ccc(C(=O)NC(Cc2ccc(O)cc2)C(=O)N2CCC=C3OCC(=O)C32)cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.41
ITGA2B P08514 3/20 0.41
CTSK P43235 3/20 0.40
CYP51A1 Q16850 1/20 0.38
ACE P12821 1/20 0.38
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CHRM2 P08172 4/20 0.36
CHRM1 P11229 4/20 0.36
CHRM3 P20309 4/20 0.36
CTSL P07711 1/20 0.36
LNPEP Q9UIQ6 1/20 0.36
TSHR P16473 1/20 0.35
ACE2 Q9BYF1 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
SCHEMBL4458967 0.90 CTSK (0.47) ITGB3ITGA2BCTSKCYP51A1ACE
SCHEMBL4454262 0.90 ITGB3 (0.42) ITGB3ITGA2BCTSKCYP51A1ACE
SCHEMBL4452919 0.89 ACE (0.47) ITGB3ITGA2BACECTSLTSHR
SCHEMBL4450210 0.89 CTSK (0.41) ITGB3ITGA2BCTSKCYP51A1ACE
SCHEMBL4458898 0.88 ITGB3 (0.41) ITGB3ITGA2BCTSKCYP51A1ACE
SCHEMBL4449465 0.87 ITGB3 (0.40) ITGB3ITGA2BCTSKCYP51A1ACE
SCHEMBL4451224 0.86 ITGB3 (0.41) ITGB3ITGA2BCTSKCYP51A1ACE
SCHEMBL6798801 0.86 ACE (0.43) ITGB3ITGA2BCTSKACECTSL
SCHEMBL4454188 0.85 ITGB3 (0.40) ITGB3ITGA2BCYP51A1ACECA1
SCHEMBL5096314 0.84 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 2 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
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 1887/4885CTSK 45/4885

“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.