SCHEMBL3489131

SCHEMBL3489131

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nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.47
USP2 O75604 2/20 0.32
CYP3A4 P08684 2/20 0.32
MAPT P10636 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
LMNA P02545 1/20 0.32
RECQL P46063 1/20 0.32
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
ABCB1 P08183 1/20 0.30

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
SCHEMBL845645 1.00 TDP1 (0.47) TDP1USP2CYP3A4MAPTSMN1; SMN2
SCHEMBL669311 1.00 TDP1 (0.47) TDP1USP2CYP3A4MAPTSMN1; SMN2
SCHEMBL28554669 1.00 TDP1 (0.47) TDP1USP2CYP3A4MAPTSMN1; SMN2
Bromide SCHEMBL1290055 0.98 TDP1 (0.46) TDP1USP2CYP3A4MAPTSMN1; SMN2
Bromide SCHEMBL1290128 0.98 TDP1 (0.46) TDP1USP2CYP3A4MAPTSMN1; SMN2
SCHEMBL9679260 0.95 TDP1 (0.49) TDP1USP2CYP3A4MAPTSMN1; SMN2
Propanol SCHEMBL4985613 0.93 TDP1 (0.41) TDP1
SCHEMBL6234229 0.89 TDP1 (0.46) TDP1USP2CYP3A4MAPTSMN1; SMN2
SCHEMBL17276716 0.86 TSHR (0.44) TDP1CYP3A4ALDH1A1HPGD
SCHEMBL9737328 0.85 TDP1 (0.46) TDP1USP2CYP3A4MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116425809-A Preparation method of fluorosugar 复旦大学 2023-07-14 CN disclosed
US-10174065-B2 Antidiabetic enolic glucoside of phenylpyruvic acid ZADEC APS (DK) 2019-01-08 US disclosed
US-20160083411-A1 ANTIDIABETIC ENOLIC GLUCOSIDE OF PHENYLPYRUVIC ACID ZADEC APS (DK) 2016-03-24 US disclosed
US-9221860-B2 Antidiabetic enolic glucoside of phenylpyruvic acid ZADEC APS (DK) 2015-12-29 US disclosed
EP-2625184-B1 ANTIDIABETIC ENOLIC GLUCOSIDE OF PHENYLPYRUVIC ACID ZADEC APS (DK) 2014-10-01 EP disclosed
US-20130310331-A1 ANTIDIABETIC ENOLIC GLUCOSIDE OF PHENYLPYRUVIC ACID ZADEC APS (DK) 2013-11-21 US disclosed
US-20100069607-A1 METHOD OF COVALENTLY LINKING A CARBOHYDRATE OR POLYALKYLENE OXIDE TO A PEPTIDE, PRECURSORS FOR USE IN THE METHOD AND RESULTANT PRODUCTS UCL BUSINESS PLC (GB) 2010-03-18 US disclosed
EP-0751144-B1 Novel anthracycline prodrugs, method for preparation as well as their use in selective chemotherapy PHARMACHEMIE BV (NL) 2004-10-06 EP disclosed
US-20040096951-A1 Crystal structures of retaining glycosytransferases BRITISH COLUMBIA, UNIVERSITY OF , THE (CA) 2004-05-20 US disclosed
WO-2002048320-A2 CRYSTAL STRUCTURES OF RETAINING GLYCOSYLTRANSFERASES THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2002-06-20 WO disclosed
EP-0751144-A1 Novel anthracycline prodrugs, method for preparation as well as their use in selective chemotherapy PHARMACHEMIE B.V. (NL) 1997-01-02 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 (4 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-10174065-B2 Antidiabetic enolic glucoside of phenylpyruvic acid PC, SLC5A1, SLC5A2 TDP1 3786/4885USP2 4377/4885CYP3A4 467/4885
US-20160083411-A1 ANTIDIABETIC ENOLIC GLUCOSIDE OF PHENYLPYRUVIC ACID PC, SLC5A1, SLC5A2 TDP1 3786/4885USP2 4377/4885CYP3A4 467/4885
US-20100069607-A1 METHOD OF COVALENTLY LINKING A CARBOHYDRATE OR POLYALKYLENE OXIDE TO A PEPTIDE, PRECURSORS FOR USE IN THE METHOD AND RESULTANT PRODUCTS MSR1, C9, ADM2 TDP1 4445/4885USP2 1489/4885CYP3A4 3369/4885
US-20130310331-A1 ANTIDIABETIC ENOLIC GLUCOSIDE OF PHENYLPYRUVIC ACID PC, SLC5A1, SLC5A2 TDP1 3786/4885USP2 4377/4885CYP3A4 467/4885

“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.