SCHEMBL20166759

SCHEMBL20166759

O=C([O-])c1ccccc1OS(=O)(=O)O.O=C([O-])c1ccccc1OS(=O)(=O)O.O=C([O-])c1ccccc1OS(=O)(=O)O.[Bi+3]

nearest known ligand 0.44

Known targets — ChEMBL curated mechanism

HRH2

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
SLC22A6 Q4U2R8 1/20 0.41
MAPT P10636 1/20 0.41
FABP1 P07148 1/20 0.39
CTNNB1 P35222 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
POLB P06746 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PARP1 P09874 1/20 0.35
STS P08842 1/20 0.35
ESR1 P03372 1/20 0.34
ITGB3 P05106 1/20 0.34
ITGA2B P08514 1/20 0.34

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
SCHEMBL2702289 0.96 KDM4E (0.42) KDM4EALDH1A1HPGDL3MBTL1SLC22A6
SCHEMBL7065753 0.96 KDM4E (0.42) KDM4EALDH1A1HPGDL3MBTL1SLC22A6
Lithium Ion SCHEMBL10680313 0.96 KDM4E (0.42) KDM4EALDH1A1HPGDL3MBTL1SLC22A6
SCHEMBL1401014 0.96 KDM4E (0.42) KDM4EALDH1A1HPGDL3MBTL1SLC22A6
SCHEMBL3169148 0.96 KDM4E (0.42) KDM4EALDH1A1HPGDL3MBTL1SLC22A6
Potassium Ion SCHEMBL9114094 0.96 KDM4E (0.42) KDM4EALDH1A1HPGDL3MBTL1SLC22A6
SCHEMBL7085287 0.96 KDM4E (0.42) KDM4EALDH1A1HPGDL3MBTL1SLC22A6
SCHEMBL10981093 0.96 KDM4E (0.42) KDM4EALDH1A1HPGDL3MBTL1SLC22A6
SCHEMBL291629 0.96 KDM4E (0.47) KDM4EALDH1A1HPGDL3MBTL1SLC22A6
SCHEMBL6812017 0.96 KDM4E (0.42) KDM4EALDH1A1HPGDL3MBTL1SLC22A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3541368-A1 IMAGEABLE PARTICLES, METHODS OF MAKING AND METHODS OF USE THEREOF The United States of America, as represented by the Secretary, Department of Health and Human Services (US) 2019-09-25 EP claimed
WO-2018093566-A1 IMAGEABLE PARTICLES, METHODS OF MAKING AND METHODS OF USE THEREOF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2018-05-24 WO claimed
EP-3541368-B1 IMAGEABLE PARTICLES, METHODS OF MAKING AND METHODS OF USE THEREOF US HEALTH (US) 2023-07-12 EP disclosed
US-11382990-B2 Imageable polymers, methods of making and methods of use thereof THE USA, AS REPRESENTED BY THE SECRETARY, DHHS (US) 2022-07-12 US disclosed
US-20200197540-A1 Imageable Polymers, Methods of Making and Methods of Use Thereof THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2020-06-25 US disclosed
EP-3541368-A1 IMAGEABLE PARTICLES, METHODS OF MAKING AND METHODS OF USE THEREOF The United States of America, as represented by the Secretary, Department of Health and Human Services (US) 2019-09-25 EP disclosed
WO-2018093566-A1 IMAGEABLE PARTICLES, METHODS OF MAKING AND METHODS OF USE THEREOF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2018-05-24 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 (2 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-11382990-B2 Imageable polymers, methods of making and methods of use thereof PUF60, PBRM1, PCBP1 KDM4E 1954/4885ALDH1A1 4268/4885HPGD 1801/4885
US-20200197540-A1 Imageable Polymers, Methods of Making and Methods of Use Thereof PUF60, PBRM1, PCBP1 KDM4E 1954/4885ALDH1A1 4268/4885HPGD 1801/4885

“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.