SCHEMBL1682159

SCHEMBL1682159

COc1ccc(CCC(=O)c2c(O)cc(C)cc2O)cc1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 2/20 0.83
NFKB2 Q00653 2/20 0.83
RELA Q04206 2/20 0.83
SLC5A1 P13866 9/20 0.81
SLC5A2 P31639 8/20 0.81
CYP19A1 P11511 3/20 0.58
MAPT P10636 3/20 0.58
GAA P10253 2/20 0.58
LMNA P02545 2/20 0.58
ALDH1A1 P00352 2/20 0.58
POLB P06746 2/20 0.58
KDM4E B2RXH2 1/20 0.58
MEN1 O00255 1/20 0.58
SLC16A3 O15427 1/20 0.58
TTR P02766 1/20 0.58
ESR1 P03372 1/20 0.58
TP53 P04637 1/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2D6 P10635 1/20 0.58

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
SCHEMBL5084404 0.91 NFKB1 (1.00) NFKB1NFKB2RELASLC5A1SLC5A2
SCHEMBL457127 0.89 SLC5A1 (1.00) NFKB1NFKB2RELASLC5A1SLC5A2
SCHEMBL15457885 0.88 NFKB1 (0.83) NFKB1NFKB2RELASLC5A1SLC5A2
SCHEMBL18306234 0.87 SLC5A1 (0.84) NFKB1NFKB2RELASLC5A1SLC5A2
SCHEMBL3408972 0.86 NFKB1 (0.61) NFKB1NFKB2RELASLC5A1SLC5A2
SCHEMBL26244512 0.86 SLC5A1 (0.78) NFKB1NFKB2RELASLC5A1SLC5A2
SCHEMBL8115827 0.84 NFKB1 (0.77) NFKB1NFKB2RELASLC5A1SLC5A2
Asebogenin SCHEMBL4740064 0.84 NFKB1 (0.88) NFKB1NFKB2RELASLC5A1SLC5A2
SCHEMBL18306227 0.84 SLC5A1 (0.69) NFKB1NFKB2RELASLC5A1SLC5A2
SCHEMBL18306232 0.84 NFKB1 (0.59) NFKB1NFKB2RELASLC5A1SLC5A2

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 15 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-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-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
EP-2482823-A2 USE OF COMPOUNDS WITH SGLT-1/SGLT-2 INHIBITOR ACTIVITY FOR PRODUCING MEDICAMENTS FOR TREATMENT OF BONE DISEASES SANOFI (FR) 2012-08-08 EP disclosed
WO-2011039338-A2 USE OF COMPOUNDS WITH SGLT-1/SGLT-2 INHIBITOR ACTIVITY FOR PRODUCING MEDICAMENTS FOR TREATMENT OF BONE DISEASES SANOFI-AVENTIS (FR) 2011-04-07 WO disclosed
WO-2011039338-A2 USE OF COMPOUNDS WITH SGLT-1/SGLT-2 INHIBITOR ACTIVITY FOR PRODUCING MEDICAMENTS FOR TREATMENT OF BONE DISEASES SANOFI-AVENTIS (FR) 2011-04-07 WO 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-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-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
US-7288528-B2 Aromatic fluoroglycoside derivatives, medicaments containing these compounds, and the use thereof SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-10-30 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-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
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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 NFKB1 2997/4885NFKB2 2418/4885RELA 3501/4885
US-20050014704-A1 Novel aromatic fluoroglycoside derivatives, medicaments containing these compounds, and the use thereof SLC5A2, SLC5A1, UGGT1 NFKB1 2997/4885NFKB2 2418/4885RELA 3501/4885
US-20120270819-A1 USE OF COMPOUNDS WITH SGLT-1/SGLT-2 INHIBITOR ACTIVITY FOR PRODUCING MEDICAMENTS FOR TREATMENT OF BONE DISEASE SLC5A1, SLC5A2, SOST NFKB1 2581/4885NFKB2 2973/4885RELA 2835/4885

“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.