SCHEMBL1682158

SCHEMBL1682158

COc1ccc(C=CC(=O)c2c(OCc3ccccc3)cc(C)cc2OCc2ccccc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 3/20 0.66
▸ APP P05067 1/20 0.61
▸ SLC5A1 P13866 2/20 0.60
▸ SLC5A2 P31639 2/20 0.60
▸ PDE4A P27815 1/20 0.60
▸ PDE4B Q07343 1/20 0.60
▸ PDE4C Q08493 1/20 0.60
▸ PDE4D Q08499 1/20 0.60
▸ TDP1 Q9NUW8 1/20 0.59
▸ GSK3B P49841 3/20 0.58
▸ BACE1 P56817 2/20 0.58
▸ ABCG2 Q9UNQ0 3/20 0.54
▸ CYP3A4 P08684 2/20 0.54
▸ BCHE P06276 1/20 0.54
▸ NFKB1 P19838 1/20 0.54
▸ NFKB2 Q00653 1/20 0.54
▸ RELA Q04206 1/20 0.54
▸ CYP19A1 P11511 1/20 0.54
▸ CYP2C9 P11712 1/20 0.54
▸ MAOA P21397 1/20 0.54

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
SCHEMBL12808163 1.00 MAOB (0.66) MAOBAPPSLC5A1SLC5A2PDE4A
SCHEMBL17244808 0.94 SLC5A1 (0.64) MAOBAPPSLC5A1SLC5A2PDE4A
SCHEMBL3407236 0.87 PDE4A (0.55) MAOBAPPSLC5A1SLC5A2PDE4A
SCHEMBL17523241 0.87 SLC5A1 (0.73) MAOBAPPSLC5A1SLC5A2PDE4A
SCHEMBL30384209 0.87 SLC5A1 (0.73) MAOBAPPSLC5A1SLC5A2PDE4A
SCHEMBL25234616 0.87 SLC5A1 (0.70) MAOBAPPSLC5A1SLC5A2PDE4A
SCHEMBL17237771 0.87 SLC5A1 (0.70) MAOBAPPSLC5A1SLC5A2PDE4A
SCHEMBL14616680 0.86 LMNA (0.65) APPSLC5A1SLC5A2PDE4APDE4B
SCHEMBL25217712 0.84 SLC5A1 (0.62) MAOBAPPSLC5A1SLC5A2PDE4A
SCHEMBL30384069 0.84 SLC5A1 (0.62) MAOBAPPSLC5A1SLC5A2PDE4A

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 6 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
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
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-20050014704-A1 Novel aromatic fluoroglycoside derivatives, medicaments containing these compounds, and the use thereof AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-01-20 — — US 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 MAOB 666/4885APP 2641/4885SLC5A1 2/4885
US-20050014704-A1 Novel aromatic fluoroglycoside derivatives, medicaments containing these compounds, and the use thereof SLC5A2, SLC5A1, UGGT1 MAOB 666/4885APP 2641/4885SLC5A1 2/4885
US-20120270819-A1 USE OF COMPOUNDS WITH SGLT-1/SGLT-2 INHIBITOR ACTIVITY FOR PRODUCING MEDICAMENTS FOR TREATMENT OF BONE DISEASE SLC5A1, SLC5A2, SOST MAOB 2914/4885APP 1415/4885SLC5A1 1/4885

“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.

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