SCHEMBL452629

SCHEMBL452629

O=C(NC(CO)(CO)CO)C(=O)NC(CO)(CO)CO

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.35
KDM4E B2RXH2 1/20 0.33
GLA P06280 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL221667 0.83 HRH3 (0.35) HRH3KDM4EGLAL3MBTL1
SCHEMBL8681484 0.83 TGFBR1 (0.37) HRH3KDM4EGLAL3MBTL1
SCHEMBL19512283 0.80 HRH3 (0.35) HRH3KDM4EGLAL3MBTL1
SCHEMBL202411 0.79 TGFBR1 (0.41) HRH3KDM4E
SCHEMBL15254146 0.78 HRH3 (0.34) HRH3KDM4EGLAL3MBTL1
SCHEMBL2747744 0.77 HRH3 (0.33) HRH3KDM4E
SCHEMBL8684475 0.75 HRH3 (0.50) HRH3KDM4EGLAL3MBTL1
SCHEMBL4918832 0.75 HRH3 (0.33) HRH3KDM4EGLAL3MBTL1
SCHEMBL13455886 0.75 HRH3 (0.33) HRH3KDM4EGLAL3MBTL1
SCHEMBL9816463 0.75 KDM4E (0.45) HRH3KDM4EGLAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9139456-B2 Chelating compounds and immobilized tethered chelators THE CURATORS OF THE UNIVERSITY OF MISSOURI (US) 2015-09-22 US disclosed
US-20120061325-A1 CHELATING COMPOUNDS AND IMMOBILIZED TETHERED CHELATORS THE CURATORS OF THE UNIVERSITY OF MISSOURI 2012-03-15 US disclosed
US-8066883-B2 Removing aluminum from solution using chelating compounds and immobilized tethered chelators UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2011-11-29 US disclosed
US-20110168636-A1 CHELATING COMPOUNDS AND IMMOBILIZED TETHERED CHELATORS THE CURATORS OF THE UNIVERSITY OF MISSOURI 2011-07-14 US disclosed
US-7932326-B2 Chelating compounds and immobilized tethered chelators THE UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2011-04-26 US disclosed
US-20090261043-A1 CHELATING COMPOUNDS AND IMMOBILIZED TETHERED CHELATORS THE CURATORS OF THE UNIVERSITY OF MISSOURI 2009-10-22 US disclosed
US-20050027120-A1 Method for the synthesis of amides and related products from esters or ester-like compounds REACTIMEX, S.A. DE C.V. (MX) 2005-02-03 US disclosed
US-4978786-A Chemical process for the preparation of oxamide derivatives and compounds prepared thereby ENICHEM ANIC S.P.A. (IT) 1990-12-18 US disclosed
EP-0245631-B1 CHEMICAL PROCESS FOR THE PREPARATION OF OXAMIDE DERIVATIVES. ENICHEM ANIC S.p.A. (IT) 1990-08-01 EP disclosed
EP-0245631-A2 Chemical process for the preparation of oxamide derivatives. ENICHEM ANIC S.p.A. (IT) 1987-11-19 EP 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-20120061325-A1 CHELATING COMPOUNDS AND IMMOBILIZED TETHERED CHELATORS BTD, TTPA, SLC39A7 HRH3 1884/4885KDM4E 472/4885GLA 515/4885
US-20090261043-A1 CHELATING COMPOUNDS AND IMMOBILIZED TETHERED CHELATORS BTD, SLC30A7, SLC39A7 HRH3 2220/4885KDM4E 576/4885GLA 1137/4885

“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.