SCHEMBL13110613

SCHEMBL13110613

CC(C)c1[nH]nc(O)c1Cc1ccc(Br)cc1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC5A1 P13866 16/20 0.44
SLC5A2 P31639 16/20 0.44
ALDH1A1 P00352 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
CCNB2 O95067 1/20 0.36
CDK1 P06493 1/20 0.36
CCNB1 P14635 1/20 0.36
CCNB3 Q8WWL7 1/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL15377198 0.79 SLC5A1 (0.46) SLC5A1SLC5A2APOBEC3G
SCHEMBL3176446 0.70 PDE3B (0.38) ALDH1A1LMNA
SCHEMBL22197860 0.67 MEN1 (0.62) ALDH1A1APOBEC3GMEN1LMNAKMT2A
SCHEMBL21218907 0.65 MEN1 (0.51) MEN1LMNAKMT2A
SCHEMBL3773760 0.65 MEN1 (0.51) SLC5A1SLC5A2MEN1LMNAKMT2A
SCHEMBL23453748 0.64 MEN1 (0.57) MEN1LMNAKMT2A
SCHEMBL6419682 0.64 NPC1 (0.39) SLC5A1SLC5A2ALDH1A1APOBEC3G
SCHEMBL13497016 0.64 MEN1 (0.54) SLC5A1SLC5A2MEN1LMNAKMT2A
SCHEMBL23189233 0.63 HCAR2 (0.52)
SCHEMBL12803039 0.62 ALDH1A1 (0.40) ALDH1A1APOBEC3GMEN1LMNAKMT2A

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
CN-102753184-A Use of compounds with sglt-1/sglt-2 inhibitor activity for producing medicaments for treatment of bone diseases SANOFI AVENTIS 2012-10-24 CN 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-7820804-B2 Fluoroglycoside derivatives of pyrazoles, medicaments containing these compounds, and the use thereof Sanofi-Aventia Deutschland GmbH (DE) 2010-10-26 US disclosed
CN-100582116-C Fluoroglycoside derivatives of pyrazoles, medicaments containing these compounds and their use SANOFI AVENTIS DEUTSCHLAND (DE) 2010-01-20 CN 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
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
CN-1964984-A Novel fluoroglycoside derivatives of pyrazoles, medicaments containing these compounds, and the use thereof SANOFI AVENTIS DEUTSCHLAND (DE) 2007-05-16 CN 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 (2 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-20120270819-A1 USE OF COMPOUNDS WITH SGLT-1/SGLT-2 INHIBITOR ACTIVITY FOR PRODUCING MEDICAMENTS FOR TREATMENT OF BONE DISEASE SLC5A1, SLC5A2, SOST SLC5A1 1/4885SLC5A2 2/4885ALDH1A1 855/4885
US-20070197623-A1 NOVEL FLUOROGLYCOSIDE DERIVATIVES OF PYRAZOLES, MEDICAMENTS CONTAINING THESE COMPOUNDS, AND THE USE THEREOF DPP4, UGGT1, SLC5A2 SLC5A1 4/4885SLC5A2 3/4885ALDH1A1 1534/4885

“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.