SCHEMBL2038461

SCHEMBL2038461

NC(CCCCCCP(=O)(c1ccccc1)c1ccccc1)C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 1.00
POLB P06746 1/20 1.00
TDP1 Q9NUW8 1/20 1.00
NPSR1 Q6W5P4 2/20 0.62
GAA P10253 2/20 0.62
ALDH1A1 P00352 2/20 0.62
MAPT P10636 1/20 0.62
ALPG P10696 1/20 0.62
ALOX12 P18054 1/20 0.62
NPY1R P25929 1/20 0.62
HTT P42858 1/20 0.62
NPY2R P49146 1/20 0.62
MEN1 O00255 1/20 0.46
GSR P00390 1/20 0.44
NOS1 P29475 2/20 0.44
KIF11 P52732 3/20 0.44
USP2 O75604 1/20 0.43
LTA4H P09960 1/20 0.42
ALPI P09923 1/20 0.42
PKM P14618 1/20 0.42

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
SCHEMBL10426396 0.79 ALDH1A1 (1.00) KMT2APOLBTDP1NPSR1GAA
SCHEMBL10060106 0.79 ALDH1A1 (1.00) KMT2APOLBTDP1NPSR1GAA
SCHEMBL14493538 0.79 ALDH1A1 (1.00) KMT2APOLBTDP1NPSR1GAA
SCHEMBL4162470 0.77 ALDH1A1 (0.95) KMT2APOLBTDP1NPSR1GAA
SCHEMBL10596609 0.76 ALDH1A1 (0.62) KMT2APOLBTDP1ALDH1A1
Hydrogen Peroxide SCHEMBL8610678 0.75 ALDH1A1 (0.82) KMT2APOLBTDP1NPSR1GAA
SCHEMBL10780224 0.75 NPSR1 (1.00) KMT2APOLBTDP1NPSR1GAA
SCHEMBL21747440 0.74 BHMT (0.67) KMT2APOLBTDP1GSR
Ap-7 SCHEMBL154303 0.74 BHMT (0.67) KMT2APOLBTDP1GSR
SCHEMBL21747426 0.74 BHMT (0.67) KMT2APOLBTDP1GSR

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-11285165-B2 Selective high-affinity polydentate ligands and methods of making such LAWRENCE LIVERMORE NATIONAL SECURITY, LLC (US) 2022-03-29 US disclosed
US-20210106677-A1 VACCINE DEVELOPMENT METHODOLOGY BASED ON AN ADHESION MOLECULE MATSFIDE, INC. (US) 2021-04-15 US disclosed
US-20210000843-A1 SELECTIVE HIGH-AFFINITY POLYDENTATE LIGANDS AND METHODS OF MAKING SUCH LAWRENCE LIVERMORE NATIONAL SECURITY, LLC (US) 2021-01-07 US disclosed
US-10874678-B2 Selective high-affinity polydentate ligands and methods of making such LAWRENCE LIVERMORE NATIONAL SECURITY, LLC (US) 2020-12-29 US disclosed
US-10646502-B2 Selective high-affinity polydentate ligands and methods of making such LAWRENCE LIVERMORE NATIONAL SECURITY (US) 2020-05-12 US disclosed
US-20190262364-A1 SELECTIVE HIGH-AFFINITY POLYDENTATE LIGANDS AND METHODS OF MAKING SUCH LAWRENCE LIVERMORE NATIONAL SECURITY, LLC (US) 2019-08-29 US disclosed
US-10292992-B2 Selective high-affinity polydentate ligands and methods of making such LAWRENCE LIVERMORE NATIONAL SECURITY, LLC (US) 2019-05-21 US disclosed
US-9884070-B2 Selective high-affinity polydentate ligands and methods of making such LAWRENCE LIVERMORE NATIONAL SECURITY, LLC (US) 2018-02-06 US disclosed
US-20180008621-A1 SELECTIVE HIGH-AFFINITY POLYDENTATE LIGANDS AND METHODS OF MAKING SUCH LAWRENCE LIVERMORE NATIONAL SECURITY, LLC (US) 2018-01-11 US disclosed
US-20180008622-A1 SELECTIVE HIGH-AFFINITY POLYDENTATE LIGANDS AND METHODS OF MAKING SUCH LAWRENCE LIVERMORE NATIONAL SECURITY, LLC (US) 2018-01-11 US disclosed
EP-2268654-B1 SELECTIVE HIGH-AFFINITY POLYDENTATE LIGANDS AND METHODS OF MAKING SUCH UNIV CALIFORNIA (US) 2017-01-25 EP disclosed
US-20110144065-A1 SELECTIVE HIGH-AFFINITY POLYDENTATE LIGANDS AND METHODS OF MAKING SUCH U.S. DEPARTMENT OF ENERGY 2011-06-16 US disclosed
US-7662785-B2 Selective high affinity polydentate ligands and methods of making such THE REGENTS OF CALIFORNIA (US) 2010-02-16 US disclosed
US-20060084115-A1 Selective high affinity polydentate ligands and methods of making such THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2006-04-20 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 (9 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-10646502-B2 Selective high-affinity polydentate ligands and methods of making such CD44, FCGR3B, FCGR2A KMT2A 3857/4885POLB 4104/4885TDP1 4449/4885
US-11285165-B2 Selective high-affinity polydentate ligands and methods of making such CD44, FCGR3B, FCGR2A KMT2A 3857/4885POLB 4104/4885TDP1 4449/4885
US-20110144065-A1 SELECTIVE HIGH-AFFINITY POLYDENTATE LIGANDS AND METHODS OF MAKING SUCH CD44, FCGR3B, FCGR2A KMT2A 3857/4885POLB 4104/4885TDP1 4449/4885
US-20180008621-A1 SELECTIVE HIGH-AFFINITY POLYDENTATE LIGANDS AND METHODS OF MAKING SUCH CD44, FCGR3B, FCGR2A KMT2A 3857/4885POLB 4104/4885TDP1 4449/4885
US-20180008622-A1 SELECTIVE HIGH-AFFINITY POLYDENTATE LIGANDS AND METHODS OF MAKING SUCH CD44, FCGR3B, FCGR2A KMT2A 3857/4885POLB 4104/4885TDP1 4449/4885
US-20190262364-A1 SELECTIVE HIGH-AFFINITY POLYDENTATE LIGANDS AND METHODS OF MAKING SUCH CD44, FCGR3B, FCGR2A KMT2A 3857/4885POLB 4104/4885TDP1 4449/4885
US-10874678-B2 Selective high-affinity polydentate ligands and methods of making such CD44, FCGR3B, FCGR2A KMT2A 3857/4885POLB 4104/4885TDP1 4449/4885
US-20210000843-A1 SELECTIVE HIGH-AFFINITY POLYDENTATE LIGANDS AND METHODS OF MAKING SUCH CD44, FCGR3B, FCGR2A KMT2A 3857/4885POLB 4104/4885TDP1 4449/4885
US-10292992-B2 Selective high-affinity polydentate ligands and methods of making such CD44, FCGR3B, FCGR2A KMT2A 3857/4885POLB 4104/4885TDP1 4449/4885

“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.