SCHEMBL12807947

SCHEMBL12807947

CC(=O)OCC1OC(Oc2cc(C)cc(O)c2C(C)=O)C(OC(C)=O)C(OC(C)=O)C1F

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SLC28A3 Q9HAS3 3/20 0.43
▸ P4HB P07237 1/20 0.41
▸ PDIA4 P13667 1/20 0.41
▸ PDIA3 P30101 1/20 0.41
▸ CYP2D6 P10635 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ CYP3A4 P08684 3/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ TP53 P04637 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ SLC5A1 P13866 1/20 0.38
▸ SLC5A2 P31639 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ USP2 O75604 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ MAPK1 P28482 1/20 0.38

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
SCHEMBL1728397 0.91 P4HB (0.49) SLC28A3P4HBPDIA4PDIA3CYP2D6
SCHEMBL13553038 0.86 SLC28A3 (0.45) SLC28A3CYP3A4CYP2C19SLC5A1SLC5A2
SCHEMBL14381073 0.80 SLC5A1 (0.64) SLC28A3THRBHSD17B10CYP3A4CYP2C19
SCHEMBL7591908 0.79 P4HB (0.48) SLC28A3P4HBPDIA4PDIA3CYP2D6
SCHEMBL1726811 0.77 HSD17B10 (0.46) CYP2D6THRBHSD17B10CYP3A4CYP2C19
SCHEMBL1728220 0.77 CYP2D6 (0.45) P4HBPDIA4PDIA3CYP2D6THRB
SCHEMBL8654501 0.76 P4HB (0.61) SLC28A3P4HBPDIA4PDIA3CYP2D6
SCHEMBL14773376 0.76 P4HB (0.53) P4HBPDIA4PDIA3CYP2D6THRB
SCHEMBL1726710 0.76 P4HB (0.61) SLC28A3P4HBPDIA4PDIA3CYP2D6
SCHEMBL8824639 0.75 CYP2D6 (0.56) CYP2D6THRBHSD17B10CA2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-7288528-B2 Aromatic fluoroglycoside derivatives, medicaments containing these compounds, and the use thereof SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-10-30 — — 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 (1 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 SLC28A3 1031/4885P4HB 1993/4885PDIA4 1172/4885

“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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