SCHEMBL4668039

SCHEMBL4668039

CCc1cc(=O)c(O)c(C(=O)[O-])o1.CCc1cc(=O)c(O)c(C(=O)[O-])o1.CCc1cc(=O)c(O)c(C(=O)[O-])o1.[Ga+3]

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.39
POLB P06746 3/20 0.39
ALDH1A1 P00352 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SLC22A12 Q96S37 6/20 0.35
MMP3 P08254 4/20 0.35
MMP12 P39900 2/20 0.32
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP7 P09237 1/20 0.32
MMP9 P14780 1/20 0.32
MMP8 P22894 1/20 0.32
MMP13 P45452 1/20 0.32
TYR P14679 1/20 0.32
GAA P10253 2/20 0.31

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
SCHEMBL15689707 0.95 KDM4E (0.38) KDM4EPOLBALDH1A1TDP1L3MBTL1
SCHEMBL41818 0.74 KDM4E (0.42) KDM4EPOLBALDH1A1TDP1L3MBTL1
Acetic Acid SCHEMBL14990893 0.72 KDM4E (0.39) KDM4EPOLBALDH1A1TDP1L3MBTL1
SCHEMBL16921604 0.71 KDM4E (0.59) KDM4EPOLBALDH1A1TDP1L3MBTL1
SCHEMBL13395919 0.66 KDM4E (0.46) KDM4EPOLBALDH1A1TDP1L3MBTL1
SCHEMBL8663329 0.64 KDM4E (0.69) KDM4EPOLBALDH1A1TDP1L3MBTL1
SCHEMBL16901820 0.63 ELANE (0.49) POLBALDH1A1TDP1L3MBTL1SLC22A12
SCHEMBL356631 0.63 KDM4E (0.48) KDM4EMMP3MMP12MMP1MMP7
SCHEMBL806247 0.62 ELANE (0.55) ALDH1A1TDP1L3MBTL1SLC22A12GAA
SCHEMBL6912133 0.62 CYP3A4 (0.54) KDM4EPOLBALDH1A1TDP1SLC22A12

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9616133-B2 Orally administrable gallium compositions and methods of use BERNSTEIN LAWRENCE R (US) 2017-04-11 US claimed
US-20160317669-A1 ORALLY ADMINISTRABLE GALLIUM COMPOSITIONS AND METHODS OF USE BERNSTEIN LAWRENCE R (US) 2016-11-03 US claimed
US-9040063-B2 Orally administrable gallium compositions and methods of use BERNSTEIN LAWRENCE RICHARD (US) 2015-05-26 US claimed
US-20140024633-A1 Orally administrable gallium compositions and methods of use BERNSTEIN LAWRENCE RICHARD (US) 2014-01-23 US claimed
EP-1993567-A2 ORALLY ADMINISTRABLE GALLIUM COMPOSITIONS AND METHOD OF USE BERNSTEIN, Lawrence Richard (US) 2008-11-26 EP claimed
WO-2007100382-A2 ORALLY ADMINISTRABLE GALLIUM COMPOSITIONS AND METHOD OF USE BERNSTEIN LAWRENCE R (US) 2007-09-07 WO claimed
US-20070098815-A1 Orally Administrable Gallium Compositions and Methods of Use BERNSTEIN LAWRENCE R 2007-05-03 US claimed
US-9616133-B2 Orally administrable gallium compositions and methods of use BERNSTEIN LAWRENCE R (US) 2017-04-11 US disclosed
US-9492551-B2 Orally administrable gallium compositions and methods of use BERNSTEIN LAWRENCE R (US) 2016-11-15 US disclosed
US-20160317669-A1 ORALLY ADMINISTRABLE GALLIUM COMPOSITIONS AND METHODS OF USE BERNSTEIN LAWRENCE R (US) 2016-11-03 US disclosed
US-9040063-B2 Orally administrable gallium compositions and methods of use BERNSTEIN LAWRENCE RICHARD (US) 2015-05-26 US disclosed
US-20150038477-A1 ORALLY ADMINISTRABLE GALLIUM COMPOSITIONS AND METHODS OF USE BERNSTEIN LAWRENCE R (US) 2015-02-05 US disclosed
US-20140024633-A1 Orally administrable gallium compositions and methods of use BERNSTEIN LAWRENCE RICHARD (US) 2014-01-23 US disclosed
WO-2005058331-A1 USE OF GALLIUM TO TREAT INFLAMMATORY ARTHRITIS TITAN PHARMACEUTICALS, INC. (US) 2005-06-30 WO disclosed
EP-1218011-A4 GALLIUM COMPLEXES OF 3-HYDROXY-4-PYRONES TO TREAT INFECTION BY INTRACELLULAR PROKARYOTES, DNA VIRUSES AND RETROVIRUSES BERNSTEIN LAWRENCE R (US) 2004-08-18 EP disclosed
WO-2003053347-A2 GALLIUMCOMPLEXES OF 3-HYDROXY-4-PYRONES TO TREAT MYCOBACTERIAL INFECTIONS BERNSTEIN LAWRENCE R (US) 2003-07-03 WO disclosed
US-20030083308-A1 Gallium complexes of 3-hydroxy-4-pyrones to treat infection by intracellular prokaryotes and DNA viruses BERNSTEIN LAWRENCE R (US) 2003-05-01 US disclosed
EP-1218011-A1 GALLIUM COMPLEXES OF 3-HYDROXY-4-PYRONES TO TREAT INFECTION BY INTRACELLULAR PROKARYOTES, DNA VIRUSES AND RETROVIRUSES Bernstein, Lawrence R. (US) 2002-07-03 EP disclosed
US-20020068761-A1 Gallium complexes of 3-hydroxy-4-pyrones to treat mycobacterial infections BERNSTEIN LAWRENCE R (US) 2002-06-06 US disclosed
WO-2001024799-A1 GALLIUM COMPLEXES OF 3-HYDROXY-4-PYRONES TO TREAT INFECTION BY INTRACELLULAR PROKARYOTES, DNA VIRUSES AND RETROVIRUSES BERNSTEIN LAWRENCE R (US) 2001-04-12 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-20030083308-A1 Gallium complexes of 3-hydroxy-4-pyrones to treat infection by intracellular prokaryotes and DNA viruses MALT1, HMGB3, HMGB2 KDM4E 866/4885POLB 374/4885ALDH1A1 2337/4885
US-20020068761-A1 Gallium complexes of 3-hydroxy-4-pyrones to treat mycobacterial infections PGLS, MDH1, GCDH KDM4E 757/4885POLB 1306/4885ALDH1A1 2066/4885

“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.