SCHEMBL2643077

SCHEMBL2643077

COc1ccc(CN2C(=O)C=C(C)C2=O)cc1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 3/20 0.63
GSK3B P49841 3/20 0.63
CMA1 P23946 1/20 0.62
CASP3 P42574 2/20 0.56
KDM4E B2RXH2 3/20 0.55
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
APAF1 O14727 1/20 0.51
GAA P10253 1/20 0.51
SENP8 Q96LD8 1/20 0.51
SENP7 Q9BQF6 1/20 0.51
SENP6 Q9GZR1 1/20 0.51
ALDH1A1 P00352 2/20 0.49
MAPT P10636 2/20 0.49
ALOX15 P16050 1/20 0.49
CHRM5 P08912 1/20 0.48
HTT P42858 1/20 0.47

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
SCHEMBL1133156 0.88 MGLL (0.50) GSK3AGSK3BCMA1CASP3
SCHEMBL3201607 0.83 RGS4 (0.64) GSK3AGSK3BCMA1CASP3KDM4E
SCHEMBL2643216 0.80 CMA1 (0.70) GSK3AGSK3BCMA1CASP3KDM4E
SCHEMBL907301 0.80 RGS4 (0.64) GSK3AGSK3BCMA1CASP3MEN1
SCHEMBL2644212 0.78 RGS4 (0.64) GSK3AGSK3BCMA1CASP3KDM4E
SCHEMBL3384174 0.78 GSK3A (1.00) GSK3AGSK3BCMA1CASP3KDM4E
SCHEMBL45154 0.77 CASP3 (0.88) CMA1CASP3KDM4EMEN1KMT2A
SCHEMBL15773124 0.77 KDM4E (0.75) GSK3AGSK3BCMA1CASP3KDM4E
SCHEMBL30296449 0.77 CASP3 (0.88) CMA1CASP3KDM4EMEN1KMT2A
SCHEMBL24939705 0.76 PTGS1 (0.61) KDM4EMEN1KMT2AGAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022150707-A1 FUSED QUADRACYCLIC COMPOUNDS, COMPOSITIONS AND USES THEREOF Tabomedex Biosciences, Inc. (US) 2022-07-14 WO disclosed
US-8680122-B2 Substituted pyrrolones as allosteric modulators of glucokinase JANSSEN PHARMACETICA N.V. (BE) 2014-03-25 US disclosed
EP-1951707-A1 SUBSTITUTED PYRROLONES AS ALLOSTERIC MODULATORS OF GLUCOKINASE JANSSEN PHARMACEUTICA N.V. (BE) 2008-08-06 EP disclosed
WO-2007053657-A1 SUBSTITUTED PYRROLONES AS ALLOSTERIC MODULATORS OF GLUCOKINASE JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-10 WO disclosed
US-20070099937-A1 Substituted Pyrrolones As Allosteric Modulators of Glucokinase JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-03 US 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-20070099937-A1 Substituted Pyrrolones As Allosteric Modulators of Glucokinase GCK, GCKR, PDXK GSK3A 1082/4885GSK3B 1022/4885CMA1 4071/4885

“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.