SCHEMBL6735620

SCHEMBL6735620

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.39
SLC1A3 P43003 1/20 0.38
SLC1A2 P43004 1/20 0.38
SLC1A1 P43005 1/20 0.38
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP3 P08254 1/20 0.37
MMP9 P14780 1/20 0.37
MMP13 P45452 1/20 0.37
SLC7A5 Q01650 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
LMNA P02545 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM1 P11229 1/20 0.31
TBXA2R P21731 1/20 0.31
GALR3 O60755 1/20 0.31
MAPT P10636 1/20 0.31
BLM P54132 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
SCHEMBL10602408 0.87 TSHR (0.43) TSHRSLC1A3SLC1A2SLC1A1MMP1
SCHEMBL7455701 0.79 TSHR (0.37) TSHRSLC1A3SLC1A2SLC1A1MMP1
SCHEMBL6743136 0.77 TDP1 (0.47) SLC1A3SLC1A2SLC1A1TDP1
SCHEMBL421627 0.76 TSHR (0.48) TSHRSLC7A5TDP1CHRM2CHRM4
SCHEMBL421683 0.76 TSHR (0.48) TSHRTDP1CHRM2CHRM4CHRM1
SCHEMBL1442538 0.75 TSHR (0.50) TSHRSLC1A3SLC1A2SLC1A1MMP1
SCHEMBL7092944 0.75 TSHR (0.50) TSHRSLC1A3SLC1A2SLC1A1MMP1
SCHEMBL255602 0.75 TSHR (0.50) TSHRSLC1A3SLC1A2SLC1A1MMP1
SCHEMBL13849512 0.75 TSHR (0.50) TSHRSLC1A3SLC1A2SLC1A1MMP1
SCHEMBL42203 0.75 TSHR (0.50) TSHRSLC1A3SLC1A2SLC1A1MMP1

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 28 patents — showing the first 20. 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 claimed
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 claimed
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 claimed
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 claimed
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 claimed
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 claimed
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 claimed
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 claimed
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 claimed
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 claimed
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-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 TSHR 2493/4885SLC1A3 4233/4885SLC1A2 3956/4885
US-20010049443-A1 Process for the preparation of 1,5-dideoxy-1,5-imino hexitols from oximes or imines GALE, HK1, G6PD TSHR 2459/4885SLC1A3 4285/4885SLC1A2 4087/4885
US-20030109710-A1 PROCESS FOR THE PREPARATION OF 1,5-DIDEOXY-1,5-IMINO HEXITOLS FROM OXIMES OR IMINES GALE, HK1, G6PD TSHR 2493/4885SLC1A3 4233/4885SLC1A2 3956/4885
US-20020052506-A1 Process for the preparation of 1,5-dideoxy-1,5-imino hexitols from oximes or imines GALE, HK1, G6PD TSHR 2493/4885SLC1A3 4233/4885SLC1A2 3956/4885
US-20020068819-A1 Process for the preparation of 1,5-dideoxy-1, 5-imino hexitols from oximes or imines GALE, HK1, G6PD TSHR 2493/4885SLC1A3 4233/4885SLC1A2 3956/4885
US-20030204092-A1 Process for the preparation of 1, 5-dideoxy-1,5-imino hexitols from oximes or imines GALE, HK1, G6PD TSHR 2493/4885SLC1A3 4233/4885SLC1A2 3956/4885
US-20020016447-A1 Process for the preparation of 1,5-dideoxy-1,5-imino hexitols from oximes or imines GALE, HK1, G6PD TSHR 2493/4885SLC1A3 4233/4885SLC1A2 3956/4885
US-20030204091-A1 Process for the preparation of 1, 5-dideoxy-1,5-imino hexitols from oximes or imines GALE, HK1, G6PD TSHR 2493/4885SLC1A3 4233/4885SLC1A2 3956/4885
US-20020052505-A1 Process for the preparation of 1,5-dideoxy-1,5-imino hexitols from oximes or imines GALE, HK1, G6PD TSHR 2493/4885SLC1A3 4233/4885SLC1A2 3956/4885

“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.