SCHEMBL3764692

SCHEMBL3764692

COC(=O)OC[C@H]1O[C@@H](Oc2nn(C(C)C)c(C(F)(F)F)c2Cc2ccc(OC)cc2F)[C@H](O)[C@@H](O)[C@@H]1O

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC5A2 P31639 17/20 0.52
SLC5A1 P13866 17/20 0.52
TDP1 Q9NUW8 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
SCHEMBL14143744 1.00 SLC5A2 (0.52) SLC5A2SLC5A1TDP1
SCHEMBL3768993 0.95 SLC5A2 (0.59) SLC5A2SLC5A1TDP1
SCHEMBL3771060 0.91 SLC5A1 (0.63) SLC5A2SLC5A1TDP1
SCHEMBL3766899 0.89 SLC5A2 (0.53) SLC5A2SLC5A1
SCHEMBL23802535 0.89 SLC5A1 (0.66) SLC5A2SLC5A1TDP1
SCHEMBL19839506 0.89 SLC5A1 (0.66) SLC5A2SLC5A1TDP1
SCHEMBL23818160 0.87 SLC5A1 (0.70) SLC5A2SLC5A1TDP1
SCHEMBL3770496 0.87 SLC5A1 (0.70) SLC5A2SLC5A1TDP1
SCHEMBL3779491 0.86 SLC5A1 (0.62) SLC5A2SLC5A1TDP1
SCHEMBL3769353 0.86 SLC5A1 (0.71) SLC5A2SLC5A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1912656-A2 METHODS FOR PREVENTING AND TREATING METABOLIC DISORDERS AND NEW PYRAZOLE-O-GLYCOSIDE DERIVATIVES Boehringer Ingelheim International GmbH (DE) 2008-04-23 EP claimed
US-20070072813-A1 Methods for preventing and treating metabolic disorders and new pyrazole-O-glycoside derivatives AJINOMOTO CO., INC. (JP) 2007-03-29 US claimed
WO-2007014895-A2 METHODS FOR PREVENTING AND TREATING METABOLIC DISORDERS AND NEW PYRAZOLE-O-GLYCOSIDE DERIVATIVES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-02-08 WO claimed
US-20100317575-A1 PHARMACEUTICAL COMPOSITION COMPRISING A PYRAZOLE-O-GLUCOSIDE DERIVATIVE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-16 US disclosed
US-20100317575-A1 PHARMACEUTICAL COMPOSITION COMPRISING A PYRAZOLE-O-GLUCOSIDE DERIVATIVE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-16 US disclosed
US-20100317575-A1 PHARMACEUTICAL COMPOSITION COMPRISING A PYRAZOLE-O-GLUCOSIDE DERIVATIVE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-16 US disclosed
EP-2124970-A1 PHARMACEUTICAL COMPOSITION COMPRISING A PYRAZOLE-O-GLUCOSIDE DERIVATIVE Boehringer Ingelheim International GmbH (DE) 2009-12-02 EP disclosed
WO-2008087198-A1 PHARMACEUTICAL COMPOSITION COMPRISING A PYRAZOLE-O-GLUCOSIDE DERIVATIVE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-07-24 WO disclosed
EP-1912656-A2 METHODS FOR PREVENTING AND TREATING METABOLIC DISORDERS AND NEW PYRAZOLE-O-GLYCOSIDE DERIVATIVES Boehringer Ingelheim International GmbH (DE) 2008-04-23 EP disclosed
US-20070072813-A1 Methods for preventing and treating metabolic disorders and new pyrazole-O-glycoside derivatives AJINOMOTO CO., INC. (JP) 2007-03-29 US disclosed
WO-2007014895-A2 METHODS FOR PREVENTING AND TREATING METABOLIC DISORDERS AND NEW PYRAZOLE-O-GLYCOSIDE DERIVATIVES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-02-08 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-20070072813-A1 Methods for preventing and treating metabolic disorders and new pyrazole-O-glycoside derivatives IAPP, G6PC1, GPR119 SLC5A2 6/4885SLC5A1 4/4885TDP1 1377/4885
US-20100317575-A1 PHARMACEUTICAL COMPOSITION COMPRISING A PYRAZOLE-O-GLUCOSIDE DERIVATIVE SLC5A1, SLC5A2, G6PC1 SLC5A2 2/4885SLC5A1 1/4885TDP1 1314/4885

“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.