SCHEMBL935388

SCHEMBL935388

C[C@](N)(C(=O)O)c1ccccc1F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 5/20 0.51
KCNE1 P15382 1/20 0.46
KCNQ1 P51787 1/20 0.46
CYP2C19 P33261 3/20 0.44
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2D6 P10635 1/20 0.39
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
HIF1A Q16665 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KAT6A Q92794 1/20 0.37
KIF11 P52732 1/20 0.37
PDK1 Q15118 1/20 0.37
PDK2 Q15119 1/20 0.37

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
SCHEMBL714233 1.00 KCNN4 (0.51) KCNN4KCNE1KCNQ1CYP2C19HDAC3
SCHEMBL15535815 1.00 KCNN4 (0.51) KCNN4KCNE1KCNQ1CYP2C19HDAC3
SCHEMBL18117413 0.85 KCNN4 (0.47) KCNN4KCNE1KCNQ1CYP2C19HDAC3
SCHEMBL20455505 0.81 ALDH1A1 (0.44) CYP2C19CYP1A2CYP2D6MAPTKMT2A
SCHEMBL15602074 0.80 KCNN4 (0.44) KCNN4KCNE1KCNQ1CYP2C19HDAC3
SCHEMBL30501782 0.80 KCNN4 (0.50) KCNN4KCNE1KCNQ1CYP2C19HDAC3
SCHEMBL1239901 0.80 KCNN4 (0.50) KCNN4KCNE1KCNQ1CYP2C19HDAC3
Hydrochloric Acid SCHEMBL16059704 0.79 KCNN4 (0.42) KCNN4KCNE1KCNQ1CYP2C19HDAC3
SCHEMBL11510850 0.78 CYP1A2 (0.44) CYP2C19CYP1A2CYP2D6MAPTKMT2A
SCHEMBL30883820 0.78 CYP1A2 (0.44) CYP2C19CYP1A2CYP2D6MAPTKMT2A

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 9 patents. 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
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
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-2268633-A1 PYRIDAZINONE GLUCOKINASE ACTIVATORS F. Hoffmann-La Roche AG (CH) 2011-01-05 EP disclosed
US-20090264434-A1 PYRIDAZINONE GLUCOKINASE ACTIVATORS BERTHEL STEVEN JOSEPH 2009-10-22 US 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 (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-20130131113-A1 PYRIDONE GLUCOKINASE ACTIVATORS GCK, PDXK, G6PD KCNN4 2236/4885KCNE1 1722/4885KCNQ1 854/4885
US-20110021570-A1 PYRIDONE GLUCOKINASE ACTIVATORS GCK, PDXK, G6PD KCNN4 2236/4885KCNE1 1722/4885KCNQ1 854/4885
US-20090264434-A1 PYRIDAZINONE GLUCOKINASE ACTIVATORS GCK, GCKR, PDXK KCNN4 1920/4885KCNE1 1307/4885KCNQ1 543/4885

“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.