SCHEMBL3456780

SCHEMBL3456780

COc1cc(C(COS(=O)(=O)c2ccc(C)cc2)Sc2ccc3c(c2)C=CC(C)(C)O3)cc(OC)c1OC

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
COXFA4 O00483 1/20 0.43
HIF1A Q16665 15/20 0.42
EPAS1 Q99814 14/20 0.42
ODC1 P11926 1/20 0.39
EP300 Q09472 1/20 0.39
HSP90AA1 P07900 2/20 0.39

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
SCHEMBL3458345 0.80 COXFA4 (0.51) COXFA4HIF1AEPAS1ODC1HSP90AA1
SCHEMBL12315572 0.80 COXFA4 (0.48) COXFA4HIF1AEPAS1ODC1HSP90AA1
SCHEMBL12315596 0.77 COXFA4 (0.43) COXFA4HIF1AEPAS1ODC1HSP90AA1
SCHEMBL12338065 0.75 COXFA4 (0.48) COXFA4HIF1AEPAS1ODC1HSP90AA1
SCHEMBL3456099 0.75 COXFA4 (0.52) COXFA4HIF1AEPAS1ODC1EP300
SCHEMBL14666104 0.74 HIF1A (0.42) COXFA4HIF1AEPAS1
SCHEMBL14666164 0.70 HIF1A (0.40) COXFA4HIF1AEPAS1HSP90AA1
SCHEMBL12338169 0.69 COXFA4 (0.59) COXFA4HIF1AEPAS1ODC1EP300
SCHEMBL14666161 0.69 HIF1A (0.39) COXFA4HIF1AEPAS1HSP90AA1
SCHEMBL13535471 0.69 COXFA4 (0.58) COXFA4HIF1AEPAS1ODC1EP300

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130028837-A1 CONTRAST AGENTS FOR MYOCARDIAL PERFUSION IMAGING LANTHEUS MEDICAL IMAGING, INC. (US) 2013-01-31 US disclosed
US-20130028837-A1 CONTRAST AGENTS FOR MYOCARDIAL PERFUSION IMAGING LANTHEUS MEDICAL IMAGING, INC. (US) 2013-01-31 US disclosed
US-8263042-B2 Contrast agents for myocardial perfusion imaging LANTHEUS MEDICAL IMAGING, INC. (US) 2012-09-11 US disclosed
US-8263042-B2 Contrast agents for myocardial perfusion imaging LANTHEUS MEDICAL IMAGING, INC. (US) 2012-09-11 US disclosed
US-8263042-B2 Contrast agents for myocardial perfusion imaging LANTHEUS MEDICAL IMAGING, INC. (US) 2012-09-11 US disclosed
EP-2253333-A2 Contrast Agents for Myocardial Perfusion Imaging Lantheus Medical Imaging, Inc. (US) 2010-11-24 EP disclosed
EP-2253333-A2 Contrast Agents for Myocardial Perfusion Imaging Lantheus Medical Imaging, Inc. (US) 2010-11-24 EP disclosed
EP-1740225-A4 CONTRAST AGENTS FOR MYOCARDIAL PERFUSION IMAGING BRISTOL MYERS SQUIBB CO (US) 2009-08-19 EP disclosed
US-20090104118-A1 CONTRAST AGENTS FOR MYOCARDIAL PERFUSION IMAGING CITIZENS BANK, N.A. 2009-04-23 US disclosed
US-20090104118-A1 CONTRAST AGENTS FOR MYOCARDIAL PERFUSION IMAGING CITIZENS BANK, N.A. 2009-04-23 US disclosed
US-20090104118-A1 CONTRAST AGENTS FOR MYOCARDIAL PERFUSION IMAGING CITIZENS BANK, N.A. 2009-04-23 US disclosed
US-7485283-B2 Contrast agents for myocardial perfusion imaging LANTHEUS MEDICAL IMAGING (US) 2009-02-03 US disclosed
US-7485283-B2 Contrast agents for myocardial perfusion imaging LANTHEUS MEDICAL IMAGING (US) 2009-02-03 US disclosed
US-7485283-B2 Contrast agents for myocardial perfusion imaging LANTHEUS MEDICAL IMAGING (US) 2009-02-03 US disclosed
EP-1740225-A2 CONTRAST AGENTS FOR MYOCARDIAL PERFUSION IMAGING Bristol-Myers Squibb Company (US) 2007-01-10 EP disclosed
WO-2005105159-A2 CONTRAST AGENTS FOR MYOCARDIAL PERFUSION IMAGING BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-11-10 WO disclosed
US-20050244332-A1 Contrast agents for myocardial perfusion imaging CITIZENS BANK, N.A. 2005-11-03 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 (3 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-20090104118-A1 CONTRAST AGENTS FOR MYOCARDIAL PERFUSION IMAGING TNNI3, TNNT2, FABP3 COXFA4 2119/4885HIF1A 887/4885EPAS1 852/4885
US-20050244332-A1 Contrast agents for myocardial perfusion imaging TNNI3, TNNT2, FABP3 COXFA4 2119/4885HIF1A 887/4885EPAS1 852/4885
US-20130028837-A1 CONTRAST AGENTS FOR MYOCARDIAL PERFUSION IMAGING TNNI3, TNNT2, FABP3 COXFA4 2119/4885HIF1A 887/4885EPAS1 852/4885

“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.