SCHEMBL5543850

SCHEMBL5543850

CC(C)(C)OC(=O)CN(CCN(CCN(CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C)[C@@H](CCCCN)C(=O)OC(C)(C)C)CC(=O)OC(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 3/20 0.33
EPOR P19235 2/20 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
SCHEMBL2567911 1.00 CPB2 (0.33) CPB2EPOR
SCHEMBL7601678 0.96 CPB2 (0.33) CPB2EPOR
SCHEMBL6232568 0.93 EPOR (0.40) CPB2EPOR
SCHEMBL7881945 0.90 CPB2 (0.36) CPB2EPOR
SCHEMBL6232124 0.89 EPOR (0.40) CPB2EPOR
SCHEMBL4537445 0.88 CPB2 (0.37) CPB2EPOR
SCHEMBL896853 0.88 CPB2 (0.37) CPB2EPOR
SCHEMBL4564930 0.82 TDP1 (0.31)
SCHEMBL14345486 0.82 TDP1 (0.31)
SCHEMBL5032518 0.82 TDP1 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140234211-A1 SUPRAMOLECULAR AGGREGATES CONTAINING AMPHIPHILIC MONOMERS, CHELATING AGENTS AND PEPTIDES FOR USE FOR DRUG DELIVERY AND AS CONTRAST AGENTS INVECTORS S.R.L. (IT) 2014-08-21 US disclosed
EP-2750714-A1 SUPRAMOLECULAR AGGREGATES CONTAINING AMPHIPHILIC MONOMERS, CHELATING AGENTS AND PEPTIDES FOR USE FOR DRUG DELIVERY AND AS CONTRAST AGENTS INVECTORS s.r.l. (IT) 2014-07-09 EP disclosed
WO-2013046163-A1 SUPRAMOLECULAR AGGREGATES CONTAINING AMPHIPHILIC MONOMERS, CHELATING AGENTS AND PEPTIDES FOR USE FOR DRUG DELIVERY AND AS CONTRAST AGENTS INVECTORS S.R.L. (IT) 2013-04-04 WO disclosed
EP-1806350-A2 Amphipatic polycarboxylic chelates and complexes with paramagnetic metals as MRI contrast agents BRACCO International B.V. (NL) 2007-07-11 EP disclosed
EP-1259532-B1 BILE ACIDS CONJUGATES WITH METAL ION CHELATES AND THE USE THEREOF BRACCO IMAGING SPA (IT) 2005-05-04 EP disclosed
US-6803030-B2 CONTRAST AGENTS FOR MAGNETIC RESONANCE IMAGING BRACCO IMAGING S.P.A. (IT) 2004-10-12 US disclosed
US-6652834-B2 Tensioactive properties, long lasting activity in the blood pool BRACCO INTERNATIONAL B.V. (NL) 2003-11-25 US disclosed
US-20030113265-A1 Bile acids conjugates with metal ion chelates and the use thereof BRACCO IMAGING S.P.A. (IT) 2003-06-19 US disclosed
EP-1259532-A1 BILE ACIDS CONJUGATES WITH METAL ION CHELATES AND THE USE THEREOF Bracco Imaging S.p.A. (IT) 2002-11-27 EP disclosed
US-6458337-B1 Diagnostic imaging contrast agent with improved in serum relaxivity DIBRA S.P.A (IT) 2002-10-01 US disclosed
US-20020098152-A1 Amphipatic polycarboxylic chelates and complexes with paramagnetic metals as MRI contrast agents BRACCO INTERNATIONAL B.V. 2002-07-25 US disclosed
US-6342598-B1 BLOOD-POOL CONTRAST AGENTS OF OUTSTANDING LONG LIFE IN CIRCULATION BRACCO INTERNATIONAL B.V. (NL) 2002-01-29 US disclosed
EP-1170021-A2 Conjugates of peptides and lanthanid-chelates for fluorescencediagnostic Shering Aktiengesellschaft (DE) 2002-01-09 EP disclosed
WO-2001064708-A1 BILE ACIDS CONJUGATES WITH METAL ION CHELATES AND THE USE THEREOF BRACCO IMAGING S.P.A. (IT) 2001-09-07 WO 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-20020098152-A1 Amphipatic polycarboxylic chelates and complexes with paramagnetic metals as MRI contrast agents SLC39A14, HAMP, PICALM CPB2 2574/4885EPOR 1759/4885
US-20140234211-A1 SUPRAMOLECULAR AGGREGATES CONTAINING AMPHIPHILIC MONOMERS, CHELATING AGENTS AND PEPTIDES FOR USE FOR DRUG DELIVERY AND AS CONTRAST AGENTS GRPR, BRS3, BID CPB2 1329/4885EPOR 2576/4885
US-20030113265-A1 Bile acids conjugates with metal ion chelates and the use thereof SLC10A2, SLC10A1, NR1H4 CPB2 2327/4885EPOR 2103/4885

“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.