SCHEMBL2654813

SCHEMBL2654813

CC(C)CC(C(=O)O)n1ncc(Oc2cccc3c2CCCC3)cc1=O

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RXRA P19793 9/20 0.39
PTGES O14684 1/20 0.39
ALOX5 P09917 1/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
CASP1 P29466 1/20 0.38
CASP3 P42574 1/20 0.38
CASP7 P55210 1/20 0.38
CASP6 P55212 1/20 0.38
CASP8 Q14790 1/20 0.38
RXRB P28702 9/20 0.37
RXRG P48443 6/20 0.37
MRGPRX4 Q96LA9 1/20 0.36
LNPEP Q9UIQ6 1/20 0.35
IDO1 P14902 2/20 0.34
PSMB5 P28074 2/20 0.34
CXCR5 P32302 1/20 0.34
NPBWR1 P48145 1/20 0.34
MCHR1 Q99705 1/20 0.34

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
SCHEMBL2656662 1.00 RXRA (0.39) RXRAPTGESALOX5PPARGPPARA
SCHEMBL2657261 1.00 RXRA (0.39) RXRAPTGESALOX5PPARGPPARA
SCHEMBL1008674 0.85 PTGES (0.36) RXRAPTGESALOX5PPARGPPARA
SCHEMBL1083161 0.80 CASP1 (0.33) CASP1CASP3CASP7CASP6CASP8
SCHEMBL1061175 0.80 CASP1 (0.33) CASP1CASP3CASP7CASP6CASP8
SCHEMBL1065244 0.80 CASP1 (0.33) CASP1CASP3CASP7CASP6CASP8
SCHEMBL2656075 0.80 SIRT2 (0.44) LNPEPPSMB5NPBWR1
SCHEMBL2655456 0.80 SIRT2 (0.44) LNPEPPSMB5NPBWR1
SCHEMBL2656919 0.80 SIRT2 (0.44) LNPEPPSMB5NPBWR1
SCHEMBL1008684 0.80 XIAP (0.38) NPBWR1

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 6 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-20090264434-A1 PYRIDAZINONE GLUCOKINASE ACTIVATORS BERTHEL STEVEN JOSEPH 2009-10-22 US claimed
WO-2009127544-A1 PYRIDAZINONE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2009-10-22 WO 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 RXRA 1379/4885PTGES 1645/4885ALOX5 2091/4885

“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.