SCHEMBL6428109

SCHEMBL6428109

O=C(O)CN(CCN(CCN(CC(=O)O)[C@@H](COCc1ccccc1)C(=O)O)CP(=O)(O)O)[C@@H](COCc1ccccc1)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.39
SLC1A1 P43005 1/20 0.38
FOLH1 Q04609 2/20 0.37
PPARA Q07869 1/20 0.35
TSHR P16473 1/20 0.35
CA1 P00915 3/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
LAP3 P28838 3/20 0.33
ANPEP P15144 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
SCHEMBL1394685 1.00 MAOB (0.39) MAOBSLC1A1FOLH1PPARATSHR
SCHEMBL8059292 0.88 MAOB (0.43) MAOBSLC1A1FOLH1PPARATSHR
SCHEMBL8068462 0.88 MAOB (0.43) MAOBSLC1A1FOLH1PPARATSHR
SCHEMBL8068485 0.88 MAOB (0.43) MAOBSLC1A1FOLH1PPARATSHR
SCHEMBL7594884 0.88 SLC1A1 (0.47) MAOBSLC1A1FOLH1PPARATSHR
SCHEMBL4938839 0.87 MAOB (0.42) MAOBSLC1A1FOLH1PPARATSHR
SCHEMBL29406971 0.87 MAOB (0.42) MAOBSLC1A1FOLH1PPARATSHR
SCHEMBL1144138 0.87 MAOB (0.42) MAOBSLC1A1FOLH1PPARATSHR
SCHEMBL6428029 0.84 LAP3 (0.43) LAP3ANPEP
SCHEMBL8059372 0.84 SLC1A1 (0.44) MAOBSLC1A1FOLH1PPARATSHR

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
EP-1155023-B1 CHELATING COMPOUNDS AND THEIR COMPLEXES WITH PARAMAGNETIC METALS BRACCO SPA (IT) 2005-03-02 EP claimed
US-8540966-B2 Contrast agents endowed with high relaxivity BRACCO IMAGING S.P.A. (IT) 2013-09-24 US disclosed
US-8540966-B2 Contrast agents endowed with high relaxivity BRACCO IMAGING S.P.A. (IT) 2013-09-24 US disclosed
US-20110256067-A1 Contrast agents endowed with high relaxivity BRACCO IMAGING SPA (IT) 2011-10-20 US disclosed
US-20110256067-A1 Contrast agents endowed with high relaxivity BRACCO IMAGING SPA (IT) 2011-10-20 US disclosed
US-7988950-B2 Contrast agents endowed with high relaxivity for use in magnetic resonance imaging (MRI) which contain a chelating moiety with polyhydroxylated substituents BRACCO IMAGING S.P.A. (IT) 2011-08-02 US disclosed
US-7988950-B2 Contrast agents endowed with high relaxivity for use in magnetic resonance imaging (MRI) which contain a chelating moiety with polyhydroxylated substituents BRACCO IMAGING S.P.A. (IT) 2011-08-02 US disclosed
EP-1765812-B1 CONTRAST AGENTS ENDOWED WITH HIGH RELAXIVITY FOR USE IN MAGNETIC RESONANCE IMAGING (MRI) WHICH CONTAIN A CHELATING MOIETY WITH POLYHYDROXYLATED SUBSTITUENTS BRACCO IMAGING SPA (IT) 2009-04-29 EP disclosed
EP-1786475-B1 1,4-BIS(CARBOXYMETHYL)-6-[BIS(CARBOXYMETHYL)AMINO]-6-METHYL-PERHYDRO-1,4-DIAZEPINE (AAZTA) DERIVATIVES AS LIGANDS IN HIGH RELAXIVITY CONTRAST AGENTS FOR USE IN MAGNETIC RESONANCE IMAGING (MRI) BRACCO IMAGING SPA (IT) 2009-04-29 EP disclosed
US-20070258905-A1 Contrast Agents Endowed with High Relaxivity for Use in Magnetic Resonance Imaging (Mri) Which Contain a Chelating Moiety with Polyhydroxylated Substituents BRACCO IMAGING SPA (IT) 2007-11-08 US disclosed
US-20070258905-A1 Contrast Agents Endowed with High Relaxivity for Use in Magnetic Resonance Imaging (Mri) Which Contain a Chelating Moiety with Polyhydroxylated Substituents BRACCO IMAGING SPA (IT) 2007-11-08 US disclosed
EP-1155023-B1 CHELATING COMPOUNDS AND THEIR COMPLEXES WITH PARAMAGNETIC METALS BRACCO SPA (IT) 2005-03-02 EP disclosed
US-6509324-B1 Use as contrast agents in magnetic resonance imaging BRACCO S.P.A. (IT) 2003-01-21 US disclosed
US-20030013859-A1 CHELATING COMPOUNDS, THEIR COMPLEXES WITH PARAMAGNETIC METALS BRACCO S.P.A. (IT) 2003-01-16 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-20110256067-A1 Contrast agents endowed with high relaxivity SLC40A1, SLC67A1, SLC19A1 MAOB 1298/4885SLC1A1 76/4885FOLH1 407/4885
US-20070258905-A1 Contrast Agents Endowed with High Relaxivity for Use in Magnetic Resonance Imaging (Mri) Which Contain a Chelating Moiety with Polyhydroxylated Substituents RXFP1, SLC5A7, SLC40A1 MAOB 2449/4885SLC1A1 90/4885FOLH1 69/4885
US-20030013859-A1 CHELATING COMPOUNDS, THEIR COMPLEXES WITH PARAMAGNETIC METALS MPI, SLC39A14, LRPPRC MAOB 3528/4885SLC1A1 915/4885FOLH1 1532/4885

“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.