SCHEMBL3060466

SCHEMBL3060466

O=C(OC[C@H]1O[C@@](O)(Br)[C@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H]1F)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.47
ALDH1A1 P00352 1/20 0.42
POLB P06746 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
MAPK1 P28482 2/20 0.40
GAA P10253 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
LGALS9 O00182 1/20 0.37
LGALS1 P09382 1/20 0.37
LGALS3 P17931 1/20 0.37
LGALS7; LGALS7B P47929 1/20 0.37
PTPN1 P18031 3/20 0.36
NPC1 O15118 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
GAPDH P04406 1/20 0.36
TDP1 Q9NUW8 2/20 0.35

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
SCHEMBL9137960 0.91 MAPT (0.55) MAPTALDH1A1POLBKMT2AMEN1
SCHEMBL8512702 0.91 MAPT (0.55) MAPTALDH1A1POLBKMT2AMEN1
SCHEMBL8512700 0.91 MAPT (0.55) MAPTALDH1A1POLBKMT2AMEN1
SCHEMBL11073044 0.91 MAPT (0.55) MAPTALDH1A1POLBKMT2AMEN1
SCHEMBL652994 0.90 MAPT (0.52) MAPTALDH1A1POLBKMT2AMEN1
SCHEMBL4962623 0.90 MAPT (0.52) MAPTALDH1A1POLBKMT2AMEN1
SCHEMBL4960765 0.90 MAPT (0.52) MAPTALDH1A1POLBKMT2AMEN1
SCHEMBL5139788 0.90 MAPT (0.52) MAPTALDH1A1POLBKMT2AMEN1
SCHEMBL29097448 0.85 MAPT (0.47) MAPTALDH1A1POLBKMT2AMEN1
SCHEMBL1824001 0.85 MAPT (0.47) MAPTALDH1A1POLBKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120270819-A1 USE OF COMPOUNDS WITH SGLT-1/SGLT-2 INHIBITOR ACTIVITY FOR PRODUCING MEDICAMENTS FOR TREATMENT OF BONE DISEASE SANOFI (FR) 2012-10-25 US disclosed
US-7820804-B2 Fluoroglycoside derivatives of pyrazoles, medicaments containing these compounds, and the use thereof Sanofi-Aventia Deutschland GmbH (DE) 2010-10-26 US disclosed
US-20100261664-A1 Novel heterocyclic fluoroglycoside derivatives, medicaments containing these compounds, and the use thereof SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-10-14 US disclosed
EP-1758914-B1 NOVEL FLUOROGLYCOSIDE DERIVATIVES OF PYRAZOLES, MEDICAMENTS CONTAINING THESE COMPOUNDS, AND THE USE THEREOF SANOFI AVENTIS DEUTSCHLAND (DE) 2007-11-21 EP disclosed
US-20070197623-A1 NOVEL FLUOROGLYCOSIDE DERIVATIVES OF PYRAZOLES, MEDICAMENTS CONTAINING THESE COMPOUNDS, AND THE USE THEREOF SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-08-23 US disclosed
EP-1572708-B1 NOVEL FLUOROGLYCOSIDE HETEROCYCLIC DERIVATIVES, PHARMACEUTICAL PRODUCTS CONTAINING SAID COMPOUNDS AND THE USE THEREOF SANOFI AVENTIS DEUTSCHLAND (DE) 2006-04-19 EP disclosed
EP-1572708-A1 NOVEL FLUOROGLYCOSIDE HETEROCYCLIC DERIVATIVES, PHARMACEUTICAL PRODUCTS CONTAINING SAID COMPOUNDS AND THE USE THEREOF Aventis Pharma Deutschland GmbH (DE) 2005-09-14 EP disclosed
US-20040259819-A1 Novel heterocyclic fluoroglycoside derivatives, medicaments containing these compounds, and the use thereof AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-12-23 US disclosed
WO-2004052903-A1 NOVEL FLUOROGLYCOSIDE HETEROCYCLIC DERIVATIVES, PHARMACEUTICAL PRODUCTS CONTAINING SAID COMPOUNDS AND THE USE THEREOF AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-06-24 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 (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-20100261664-A1 Novel heterocyclic fluoroglycoside derivatives, medicaments containing these compounds, and the use thereof UGGT1, SLC5A2, SLC5A1 MAPT 4506/4885ALDH1A1 1002/4885POLB 4398/4885
US-20040259819-A1 Novel heterocyclic fluoroglycoside derivatives, medicaments containing these compounds, and the use thereof SLC5A1, UGGT1, SLC5A2 MAPT 4543/4885ALDH1A1 615/4885POLB 4474/4885
US-20120270819-A1 USE OF COMPOUNDS WITH SGLT-1/SGLT-2 INHIBITOR ACTIVITY FOR PRODUCING MEDICAMENTS FOR TREATMENT OF BONE DISEASE SLC5A1, SLC5A2, SOST MAPT 1151/4885ALDH1A1 855/4885POLB 4705/4885
US-20070197623-A1 NOVEL FLUOROGLYCOSIDE DERIVATIVES OF PYRAZOLES, MEDICAMENTS CONTAINING THESE COMPOUNDS, AND THE USE THEREOF DPP4, UGGT1, SLC5A2 MAPT 4475/4885ALDH1A1 1534/4885POLB 4636/4885

“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.