SCHEMBL3066072

SCHEMBL3066072

CC(=O)OC[C@@H](O)[C@@H](OC(C)=O)[C@H](F)[C@@H](OC(C)=O)C(=O)Br

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.45
MAPK1 P28482 2/20 0.36
POLB P06746 1/20 0.36
MEN1 O00255 1/20 0.30
USP2 O75604 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TP53 P04637 1/20 0.30
CYP3A4 P08684 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 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
SCHEMBL8829328 0.89 TDP1 (0.49) TDP1MAPK1POLBALDH1A1
SCHEMBL3047380 0.88 TDP1 (0.45) TDP1MAPK1POLB
SCHEMBL3054750 0.88 TDP1 (0.45) TDP1MAPK1POLB
SCHEMBL4656048 0.87 TDP1 (0.47) TDP1MAPK1POLB
SCHEMBL7037710 0.87 TDP1 (0.47) TDP1MAPK1POLB
SCHEMBL1290131 0.87 TDP1 (0.47) TDP1MAPK1POLB
SCHEMBL2527102 0.81 TDP1 (0.47) TDP1
SCHEMBL2527099 0.81 TDP1 (0.47) TDP1
SCHEMBL4604940 0.77 TDP1 (0.50) TDP1MAPK1POLBUSP2ALDH1A1
SCHEMBL4605823 0.76 TDP1 (0.49) TDP1MAPK1POLBALDH1A1

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
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-20100261664-A1 Novel heterocyclic fluoroglycoside derivatives, medicaments containing these compounds, and the use thereof SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-10-14 US disclosed
US-20080108580-A1 NOVEL AROMATIC FLUOROGLYCOSIDE DERIVATIVES, MEDICAMENTS CONTAINING THESE COMPOUNDS, AND THE USE THEREOF SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-05-08 US disclosed
US-7288528-B2 Aromatic fluoroglycoside derivatives, medicaments containing these compounds, and the use thereof SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-10-30 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-1572707-A1 NOVEL AROMATIC FLUOROGLYCOSIDE DERIVATIVES, PHARMACEUTICAL PRODUCTS CONTAINING SAID COMPOUNDS AND THE USE THEREOF Aventis Pharma Deutschland GmbH (DE) 2005-09-14 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-20050014704-A1 Novel aromatic fluoroglycoside derivatives, medicaments containing these compounds, and the use thereof AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-01-20 US 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-2004052902-A1 NOVEL AROMATIC FLUOROGLYCOSIDE DERIVATIVES, PHARMACEUTICAL PRODUCTS CONTAINING SAID COMPOUNDS AND THE USE THEREOF AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-06-24 WO 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 (5 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-20080108580-A1 NOVEL AROMATIC FLUOROGLYCOSIDE DERIVATIVES, MEDICAMENTS CONTAINING THESE COMPOUNDS, AND THE USE THEREOF SLC5A2, SLC5A1, UGGT1 TDP1 3772/4885MAPK1 728/4885POLB 4570/4885
US-20100261664-A1 Novel heterocyclic fluoroglycoside derivatives, medicaments containing these compounds, and the use thereof UGGT1, SLC5A2, SLC5A1 TDP1 4085/4885MAPK1 1155/4885POLB 4398/4885
US-20040259819-A1 Novel heterocyclic fluoroglycoside derivatives, medicaments containing these compounds, and the use thereof SLC5A1, UGGT1, SLC5A2 TDP1 3804/4885MAPK1 783/4885POLB 4474/4885
US-20050014704-A1 Novel aromatic fluoroglycoside derivatives, medicaments containing these compounds, and the use thereof SLC5A2, SLC5A1, UGGT1 TDP1 3772/4885MAPK1 728/4885POLB 4570/4885
US-20120270819-A1 USE OF COMPOUNDS WITH SGLT-1/SGLT-2 INHIBITOR ACTIVITY FOR PRODUCING MEDICAMENTS FOR TREATMENT OF BONE DISEASE SLC5A1, SLC5A2, SOST TDP1 4561/4885MAPK1 226/4885POLB 4705/4885

“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.