SCHEMBL2654551

SCHEMBL2654551

CC(C)CC(C(=O)O)n1ncc(Oc2cccc(C(F)(F)F)c2Cl)cc1=O

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.39
MAP2K1 Q02750 3/20 0.36
P2RX7 Q99572 7/20 0.35
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34
MCL1 Q07820 3/20 0.34
LNPEP Q9UIQ6 1/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
CMA1 P23946 1/20 0.33

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
SCHEMBL2654635 0.86 KMO (0.36) MCL1
SCHEMBL1008684 0.83 XIAP (0.38) MCL1
SCHEMBL1064613 0.80 MAP2K1 (0.33) MAP2K1
SCHEMBL2656075 0.79 SIRT2 (0.44) MCL1LNPEPCMA1
SCHEMBL2656919 0.79 SIRT2 (0.44) MCL1LNPEPCMA1
SCHEMBL2655456 0.79 SIRT2 (0.44) MCL1LNPEPCMA1
SCHEMBL2657088 0.78 MCL1 (0.36) MCL1AKR1C3AKR1C2
SCHEMBL2657605 0.78 MCL1 (0.36) MCL1AKR1C3AKR1C2
SCHEMBL1008308 0.78 MCL1 (0.36) MCL1AKR1C3AKR1C2
SCHEMBL2656662 0.76 RXRA (0.39) MRGPRX4LNPEP

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 4 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 claimed
US-8258134-B2 Pyridazinone glucokinase activators HOFFMANN-LA ROCHE INC. (US) 2012-09-04 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 MRGPRX4 3192/4885MAP2K1 922/4885P2RX7 1507/4885

“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.