SCHEMBL2642688

SCHEMBL2642688

COc1ccc(CN2C(=O)C=C(C)C2SCC(=O)O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
GSK3A P49840 1/20 0.42
GSK3B P49841 1/20 0.42
CMA1 P23946 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HDAC6 Q9UBN7 1/20 0.39
MMP1 P03956 2/20 0.39
MMP9 P14780 2/20 0.39
MMP3 P08254 1/20 0.39
KDM4E B2RXH2 3/20 0.38
HKDC1 Q2TB90 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
HTT P42858 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 2/20 0.38
TSHR P16473 1/20 0.38
ALOX15 P16050 1/20 0.38
NPC1 O15118 1/20 0.37

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
SCHEMBL2643558 0.83 MEN1 (0.53) ALDH1A1GSK3AGSK3BCMA1MEN1
SCHEMBL2643429 0.79 ALDH1A1 (0.47) ALDH1A1MEN1KMT2AKDM4EHKDC1
SCHEMBL2643174 0.77 MAPT (0.41) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL2644221 0.77 KDM4E (0.50) ALDH1A1GSK3AGSK3BCMA1MEN1
SCHEMBL5457165 0.76 ALDH1A1 (0.44) ALDH1A1GSK3AGSK3BCMA1MEN1
SCHEMBL5459715 0.75 ALDH1A1 (0.43) ALDH1A1CMA1MEN1KMT2AMMP1
SCHEMBL2644853 0.74 NR1H2 (0.43) ALDH1A1MEN1KMT2AHDAC6MMP1
SCHEMBL2644259 0.72 MEN1 (0.46) ALDH1A1MEN1KMT2AKDM4EHKDC1
SCHEMBL2644276 0.70 MEN1 (0.42) ALDH1A1MEN1KMT2AHDAC6MMP1
SCHEMBL2643789 0.70 KMT2A (0.49) ALDH1A1MEN1KMT2AHDAC6POLB

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 ALDH1A1 2312/4885GSK3A 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.