SCHEMBL1008308

SCHEMBL1008308

CC(C)CC(C(=O)O)n1ncc(Oc2c(F)cccc2F)cc1=O

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 2/20 0.36
GCK P35557 3/20 0.35
HIF1A Q16665 1/20 0.35
PPARG P37231 1/20 0.35
PTGS2 P35354 2/20 0.34
AKR1C3 P42330 2/20 0.33
AKR1C2 P52895 2/20 0.33
FAAH O00519 1/20 0.33
PTGS1 P23219 2/20 0.33
LPAR1 Q92633 1/20 0.33
LPAR5 Q9H1C0 1/20 0.33
HDAC8 Q9BY41 1/20 0.32
BCL2 P10415 1/20 0.32
BCL2L2 Q92843 1/20 0.32
KMO O15229 1/20 0.32

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
SCHEMBL2657088 1.00 MCL1 (0.36) MCL1GCKHIF1APPARGPTGS2
SCHEMBL2657605 1.00 MCL1 (0.36) MCL1GCKHIF1APPARGPTGS2
SCHEMBL1008834 0.89 GCK (0.34) GCKHIF1APPARGPTGS2AKR1C3
SCHEMBL1008527 0.85 HDAC8 (0.35) GCKHIF1APPARGPTGS2LPAR1
SCHEMBL1009031 0.84 HDAC8 (0.45) PPARGPTGS2LPAR1LPAR5HDAC8
SCHEMBL1008661 0.84 PTGDR2 (0.35) MCL1PTGS2PTGS1
SCHEMBL1008514 0.81 LPAR1 (0.38) HIF1AFAAHLPAR1LPAR5
SCHEMBL1007597 0.81 LPAR1 (0.38) HIF1ALPAR1LPAR5
SCHEMBL1008391 0.80 LPAR1 (0.37) PTGS2FAAHLPAR1LPAR5
SCHEMBL2656075 0.80 SIRT2 (0.44) MCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8258134-B2 Pyridazinone glucokinase activators HOFFMANN-LA ROCHE INC. (US) 2012-09-04 US disclosed
US-8258134-B2 Pyridazinone glucokinase activators HOFFMANN-LA ROCHE INC. (US) 2012-09-04 US disclosed
US-8258134-B2 Pyridazinone glucokinase activators HOFFMANN-LA ROCHE INC. (US) 2012-09-04 US 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
US-20090264434-A1 PYRIDAZINONE GLUCOKINASE ACTIVATORS BERTHEL STEVEN JOSEPH 2009-10-22 US 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 (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-20090264434-A1 PYRIDAZINONE GLUCOKINASE ACTIVATORS GCK, GCKR, PDXK MCL1 4370/4885GCK 1/4885HIF1A 3191/4885

“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.