SCHEMBL936345

SCHEMBL936345

NC(CC1(F)CCC1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 2/20 0.44
PTGS1 P23219 1/20 0.38
SLC7A11 Q9UPY5 1/20 0.38
ALOX15 P16050 2/20 0.37
ALDH1A1 P00352 1/20 0.37
DPP7 Q9UHL4 1/20 0.36
GRIK1 P39086 6/20 0.36
GRIK2 Q13002 2/20 0.36
GRIA1 P42261 2/20 0.35
GRIA2 P42262 2/20 0.35
GRIA4 P48058 2/20 0.35
GRIK3 Q13003 2/20 0.35
GRIK5 Q16478 2/20 0.35
SLC7A5 Q01650 1/20 0.35
GRM8 O00222 1/20 0.35
GRM6 O15303 1/20 0.35
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
GSR P00390 1/20 0.35
CYP1A2 P05177 1/20 0.35

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
SCHEMBL935723 0.96 GRM1 (0.44) GRM1PTGS1SLC7A11ALOX15ALDH1A1
SCHEMBL16919198 0.96 GRM1 (0.44) GRM1PTGS1SLC7A11ALOX15ALDH1A1
SCHEMBL936219 0.94 GRM1 (0.43) GRM1PTGS1SLC7A11ALOX15ALDH1A1
SCHEMBL935831 0.77 GRM1 (0.46) GRM1PTGS1SLC7A11DPP7GRIK1
SCHEMBL25661095 0.77 GRM1 (0.46) GRM1PTGS1SLC7A11DPP7GRIK1
SCHEMBL18762540 0.75 GRM1 (0.44) GRM1PTGS1SLC7A11DPP7GRIK1
SCHEMBL18775023 0.75 GRM1 (0.44) GRM1PTGS1SLC7A11DPP7GRIK1
SCHEMBL18762455 0.75 GRM1 (0.44) GRM1PTGS1SLC7A11DPP7GRIK1
SCHEMBL13640387 0.75 MME (0.36) ALDH1A1CYP1A2BLM
SCHEMBL27842085 0.73 GSR (0.46) GRM1ALOX15GRIK1GRIK2GRIA1

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2456767-B1 PYRIDONE GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2014-03-12 EP disclosed
US-20130131113-A1 PYRIDONE GLUCOKINASE ACTIVATORS HOFFMANN-LA ROCHE INC. (US) 2013-05-23 US disclosed
EP-2582706-A1 3-OXO-3,9-DIHYDRO-1H-CHROMENO[2,3-C]PYRROLES AS GLUCOKINASE ACTIVATORS F.HOFFMANN-LA ROCHE AG (CH) 2013-04-24 EP disclosed
CN-102947311-A 3-oxo-3, 9-dihydro-1H-benzopyrano [2,3-C ] pyrroles as glucokinase activators HOFFMANN LA ROCHE 2013-02-27 CN disclosed
US-8258134-B2 Pyridazinone glucokinase activators HOFFMANN-LA ROCHE INC. (US) 2012-09-04 US disclosed
EP-2456767-A1 PYRIDONE GLUCOKINASE ACTIVATORS F. Hoffmann-La Roche AG (CH) 2012-05-30 EP disclosed
CN-102471322-A Pyridone glucokinase activators HOFFMANN LA ROCHE 2012-05-23 CN disclosed
US-8178689-B2 Tricyclic compounds HOFFMAN-LA ROCHE INC. (US) 2012-05-15 US disclosed
EP-2274297-B1 PYRROLIDINONE GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2012-05-09 EP disclosed
US-20110313002-A1 TRICYCLIC COMPOUNDS SARABU RAMAKANTH (US) 2011-12-22 US disclosed
CN-102007118-A Pyrrolidinone glucokinase activators HOFFMANN LA ROCHE 2011-04-06 CN disclosed
US-20110021570-A1 PYRIDONE GLUCOKINASE ACTIVATORS HAYNES NANCY-ELLEN 2011-01-27 US disclosed
WO-2011009845-A1 PYRIDONE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-01-27 WO disclosed
EP-2274297-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS F. Hoffmann-La Roche AG (CH) 2011-01-19 EP disclosed
EP-2268633-A1 PYRIDAZINONE GLUCOKINASE ACTIVATORS F. Hoffmann-La Roche AG (CH) 2011-01-05 EP disclosed
US-7741327-B2 Pyrrolidinone glucokinase activators HOFFMANN-LA ROCHE INC. (US) 2010-06-22 US disclosed
US-20090264434-A1 PYRIDAZINONE GLUCOKINASE ACTIVATORS BERTHEL STEVEN JOSEPH 2009-10-22 US disclosed
US-20090264445-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS BERTHEL STEVEN JOSEPH 2009-10-22 US disclosed
WO-2009127546-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2009-10-22 WO disclosed
WO-2009127544-A1 PYRIDAZINONE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2009-10-22 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 (5 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-20130131113-A1 PYRIDONE GLUCOKINASE ACTIVATORS GCK, PDXK, G6PD GRM1 1434/4885PTGS1 1120/4885SLC7A11 1500/4885
US-20090264445-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS GCKR, GCK, PDK2 GRM1 832/4885PTGS1 946/4885SLC7A11 1200/4885
US-20110021570-A1 PYRIDONE GLUCOKINASE ACTIVATORS GCK, PDXK, G6PD GRM1 1434/4885PTGS1 1120/4885SLC7A11 1500/4885
US-20090264434-A1 PYRIDAZINONE GLUCOKINASE ACTIVATORS GCK, GCKR, PDXK GRM1 1781/4885PTGS1 1685/4885SLC7A11 2016/4885
US-20110313002-A1 TRICYCLIC COMPOUNDS GPR119, PC, GOT2 GRM1 3269/4885PTGS1 750/4885SLC7A11 978/4885

“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.