SCHEMBL13062804

SCHEMBL13062804

CC(C)Oc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc2Cl)c(F)c1

nearest known ligand 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ SLC5A2 P31639 20/20 0.63
▸ SLC5A1 P13866 12/20 0.62
▸ ADRA2A P08913 1/20 0.60
▸ SLC5A11 Q8WWX8 1/20 0.60

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
SCHEMBL13016199 0.90 SLC5A2 (0.64) SLC5A2SLC5A1ADRA2ASLC5A11
SCHEMBL13062802 0.89 SLC5A2 (0.74) SLC5A2SLC5A1ADRA2ASLC5A11
SCHEMBL13062672 0.88 SLC5A2 (0.75) SLC5A2SLC5A1ADRA2ASLC5A11
SCHEMBL1713525 0.86 SLC5A2 (0.79) SLC5A2SLC5A1ADRA2ASLC5A11
SCHEMBL14260937 0.85 SLC5A2 (0.61) SLC5A2SLC5A1ADRA2ASLC5A11
SCHEMBL13062803 0.85 SLC5A2 (0.61) SLC5A2SLC5A1ADRA2ASLC5A11
SCHEMBL13016185 0.85 SLC5A2 (0.63) SLC5A2SLC5A1ADRA2ASLC5A11
SCHEMBL13062671 0.84 SLC5A2 (0.64) SLC5A2SLC5A1ADRA2ASLC5A11
SCHEMBL13062809 0.82 SLC5A2 (0.77) SLC5A2SLC5A1ADRA2ASLC5A11
SCHEMBL154622 0.82 SLC5A2 (0.70) SLC5A2SLC5A1ADRA2ASLC5A11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7858587-B2 Glucopyranosyl-substituted difluorobenzyl-benzene derivates, medicaments containing such compounds, their use and process for their manufacture BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-28 — — US disclosed
US-20100081625-A1 METHODS FOR PREVENTING AND TREATING NEURODEGENERATIVE DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-01 — — US disclosed
US-20090318547-A1 GLUCOPYRANOSYL-SUBSTITUTED DIFLUOROBENZYL-BENZENE DERIVATES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR MANUFACTURE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-12-24 — — US disclosed
WO-2008090210-A1 METHODS FOR PREVENTING AND TREATING NEURODEGENERATIVE DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-07-31 — — WO disclosed
WO-2008034859-A1 GLUCOPYRANOSYL-SUBSTITUTED DIFLUOROBENZYL-BENZENE DERIVATIVES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR MANUFACTURE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-03-27 — — 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 (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-20100081625-A1 METHODS FOR PREVENTING AND TREATING NEURODEGENERATIVE DISORDERS HTT, SNCA, PSEN2 SLC5A2 59/4885SLC5A1 41/4885ADRA2A 2392/4885
US-20090318547-A1 GLUCOPYRANOSYL-SUBSTITUTED DIFLUOROBENZYL-BENZENE DERIVATES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR MANUFACTURE UGGT1, SLC5A2, SLC5A1 SLC5A2 2/4885SLC5A1 3/4885ADRA2A 1363/4885

“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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