SCHEMBL6743136

SCHEMBL6743136

CC(=O)OC[C@@H](N)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.47
POLB P06746 1/20 0.37
MAPK1 P28482 1/20 0.37
ABCB1 P08183 1/20 0.33
SLC1A3 P43003 1/20 0.32
SLC1A2 P43004 1/20 0.32
SLC1A1 P43005 1/20 0.32
PGD P52209 1/20 0.32
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 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
SCHEMBL4608220 0.83 TDP1 (0.47) TDP1POLBMAPK1ABCB1PGD
SCHEMBL8653297 0.81 TDP1 (0.73) TDP1POLBMAPK1ABCB1PGD
SCHEMBL10750103 0.81 TDP1 (0.49) TDP1POLBMAPK1ABCB1PGD
SCHEMBL2565616 0.81 TDP1 (0.73) TDP1POLBMAPK1ABCB1PGD
SCHEMBL7152465 0.81 TDP1 (0.73) TDP1POLBMAPK1ABCB1PGD
SCHEMBL7148849 0.81 TDP1 (0.73) TDP1POLBMAPK1ABCB1PGD
SCHEMBL8652316 0.81 TDP1 (0.73) TDP1POLBMAPK1ABCB1PGD
SCHEMBL7145527 0.81 TDP1 (0.73) TDP1POLBMAPK1ABCB1PGD
SCHEMBL18040638 0.81 TDP1 (0.73) TDP1POLBMAPK1ABCB1PGD
SCHEMBL7150930 0.80 TDP1 (0.77) TDP1POLBMAPK1ABCB1PGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6831176-B2 Reacting a ketoaldonic acid methyl ester of the sugar with the protected hydroxyl groups with a an alkylamine or hydroxyalamine salt in an organic solvent with a tert-amine to react with acid generated to produce oxime methyl ester BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY 2004-12-14 US disclosed
US-6740780-B2 L-XYLO-5-HEXULOSONIC ACID HYDRAZIDE OXIME BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY 2004-05-25 US disclosed
US-6683185-B2 FROM HYDROXYL-PROTECTED OXIME INTERMEDIATES, INCLUDES FORMATION OF A LACTAM WHICH IS REDUCED TO THE HEXITOL; CHEMICAL INTERMEDIATES TO D-DIDEOXYGALACTO-NOJIRIMYCINS BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY 2004-01-27 US disclosed
US-6653480-B2 Generating aldonic-5-oxime ethyl ester with protected hydroxyls; obtain keto-methyl sugar ester, incubate with hydroxylamine hydrochloride, separate oxime methyl ester from mixture BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY 2003-11-25 US disclosed
US-6653482-B2 The ketoaldonic acid methyl ester is converted into the oxime which is then reduced to the amine which cyclizes to give the lactam which is then reduced to the imino sugar by borane or a metal hydride BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY 2003-11-25 US disclosed
US-6649766-B2 From hydroxyl-protected oxime intermediates, includes formation of a lactam which is reduced to the hexitol; chemical intermediates to D-dideoxygalacto-nojirimycins BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY 2003-11-18 US disclosed
US-20030204091-A1 Process for the preparation of 1, 5-dideoxy-1,5-imino hexitols from oximes or imines MICHIGAN STATE UNIVERSITY 2003-10-30 US disclosed
US-20030204092-A1 Process for the preparation of 1, 5-dideoxy-1,5-imino hexitols from oximes or imines BOARD OF TRUSTEES OPERATING MICHIGAN STATE UNIVERSITY 2003-10-30 US disclosed
US-6605724-B2 Process for the preparation of 1,5-dideoxy-1, 5-imino hexitols from oximes or imines BOARD OF TRUSTEES OPERATING MICHIGAN STATE UNIVERSITY 2003-08-12 US disclosed
US-6590121-B2 The ketoaldonic acid methyl ester is converted into the oxime which is then reduced to the amine which cyclizes to give the lactam which is then reduced to the imino sugar by borane or a metal hydride BOARD OF TRUSTEES OPERATING MICHIGAN STATE UNIVERSITY 2003-07-08 US disclosed
US-20030109710-A1 PROCESS FOR THE PREPARATION OF 1,5-DIDEOXY-1,5-IMINO HEXITOLS FROM OXIMES OR IMINES BOARD OF TRUSTEES OPERATING MICHIGAN STATE UNIVERSITY 2003-06-12 US disclosed
US-6462197-B2 REACTING A KETOALDONIC ACID METHYL ESTER OF THE SUGAR WITH THE PROTECTED HYDROXYL GROUPS WITH AN ALKYLAMINE OR HYDROXYAMINE ACID SALT WITH A TERTIARY AMINE TO REACT WITH AN ACID GENERATED IN THE REACTION TO PRODUCE OXIME METHYL ESTER BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY 2002-10-08 US disclosed
US-20020068819-A1 Process for the preparation of 1,5-dideoxy-1, 5-imino hexitols from oximes or imines BOARD OF TRUSTEES OPERATING MICHIGAN STATE UNIVERSITY (US) 2002-06-06 US disclosed
US-20020052506-A1 Process for the preparation of 1,5-dideoxy-1,5-imino hexitols from oximes or imines BOARD OF TRUSTEES OPERATING MICHIGAN STATE UNIVERSITY (US) 2002-05-02 US disclosed
US-20020052505-A1 Process for the preparation of 1,5-dideoxy-1,5-imino hexitols from oximes or imines BOARD OF TRUSTEES OPERATING MICHIGAN STATE UNIVERSITY 2002-05-02 US disclosed
US-20020016447-A1 Process for the preparation of 1,5-dideoxy-1,5-imino hexitols from oximes or imines BOARD OF TRUSTEES OPERATING MICHIGAN STATE UNIVERSITY 2002-02-07 US disclosed
US-20020016448-A1 Process for the preparation of 1,5-dideoxy-1,5-imino hexitols from oximes or imines BOARD OF TRUSTEES OPERATING MICHIGAN STATE UNIVERSITY 2002-02-07 US disclosed
US-20010049443-A1 Process for the preparation of 1,5-dideoxy-1,5-imino hexitols from oximes or imines BOARD OF TRUSTEES OPERATING MICHIGAN STATE UNIVERSITY (US) 2001-12-06 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-20020016448-A1 Process for the preparation of 1,5-dideoxy-1,5-imino hexitols from oximes or imines GALE, HK1, G6PD TDP1 3081/4885POLB 2687/4885MAPK1 303/4885
US-20010049443-A1 Process for the preparation of 1,5-dideoxy-1,5-imino hexitols from oximes or imines GALE, HK1, G6PD TDP1 3290/4885POLB 2784/4885MAPK1 267/4885
US-20030109710-A1 PROCESS FOR THE PREPARATION OF 1,5-DIDEOXY-1,5-IMINO HEXITOLS FROM OXIMES OR IMINES GALE, HK1, G6PD TDP1 3081/4885POLB 2687/4885MAPK1 303/4885
US-20020052506-A1 Process for the preparation of 1,5-dideoxy-1,5-imino hexitols from oximes or imines GALE, HK1, G6PD TDP1 3081/4885POLB 2687/4885MAPK1 303/4885
US-20020068819-A1 Process for the preparation of 1,5-dideoxy-1, 5-imino hexitols from oximes or imines GALE, HK1, G6PD TDP1 3081/4885POLB 2687/4885MAPK1 303/4885
US-20030204092-A1 Process for the preparation of 1, 5-dideoxy-1,5-imino hexitols from oximes or imines GALE, HK1, G6PD TDP1 3081/4885POLB 2687/4885MAPK1 303/4885
US-20020016447-A1 Process for the preparation of 1,5-dideoxy-1,5-imino hexitols from oximes or imines GALE, HK1, G6PD TDP1 3081/4885POLB 2687/4885MAPK1 303/4885
US-20030204091-A1 Process for the preparation of 1, 5-dideoxy-1,5-imino hexitols from oximes or imines GALE, HK1, G6PD TDP1 3081/4885POLB 2687/4885MAPK1 303/4885
US-20020052505-A1 Process for the preparation of 1,5-dideoxy-1,5-imino hexitols from oximes or imines GALE, HK1, G6PD TDP1 3081/4885POLB 2687/4885MAPK1 303/4885

“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.