SCHEMBL2644221

SCHEMBL2644221

COc1ccc(CN2C(=O)C=C(C)C2O)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.50
GSK3A P49840 2/20 0.50
GSK3B P49841 2/20 0.50
HKDC1 Q2TB90 1/20 0.50
CMA1 P23946 1/20 0.49
ALDH1A1 P00352 2/20 0.45
MAPT P10636 2/20 0.45
ALOX15 P16050 1/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MMP1 P03956 2/20 0.43
MMP9 P14780 2/20 0.43
MMP3 P08254 1/20 0.43
HTT P42858 1/20 0.41
HCRTR1 O43613 1/20 0.41
HCRTR2 O43614 1/20 0.41
P2RX4 Q99571 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL2644191 0.80 KDM4E (0.48) KDM4EGSK3AGSK3BHKDC1CMA1
SCHEMBL2644855 0.78 KDM4E (0.57) KDM4EGSK3AGSK3BHKDC1CMA1
SCHEMBL2642688 0.77 ALDH1A1 (0.44) KDM4EGSK3AGSK3BHKDC1CMA1
SCHEMBL2643493 0.77 KDM4E (0.50) KDM4EGSK3AGSK3BHKDC1CMA1
SCHEMBL21499667 0.75 GSK3A (0.46) KDM4EGSK3AGSK3BHKDC1CMA1
SCHEMBL21847080 0.75 KDM4E (0.51) KDM4EGSK3AGSK3BHKDC1CMA1
SCHEMBL31148998 0.75 GSK3A (0.55) KDM4EGSK3AGSK3BHKDC1CMA1
SCHEMBL17962619 0.73 KDM4E (0.56) KDM4EGSK3AGSK3BHKDC1CMA1
SCHEMBL20719766 0.71 HCRTR2 (0.55) KDM4EGSK3AGSK3BHKDC1CMA1
SCHEMBL2661656 0.70 KDM4E (0.56) KDM4EGSK3AGSK3BHKDC1CMA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8680122-B2 Substituted pyrrolones as allosteric modulators of glucokinase JANSSEN PHARMACETICA N.V. (BE) 2014-03-25 US 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 KDM4E 1136/4885GSK3A 1082/4885GSK3B 1022/4885

“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.