SCHEMBL2645162

SCHEMBL2645162

COc1ccc(CN2C(=O)C(C)=C(C)C2SC(C)C(=O)O)cc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
LDHA P00338 1/20 0.43
KDM4E B2RXH2 2/20 0.41
HKDC1 Q2TB90 1/20 0.41
CMA1 P23946 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CASP3 P42574 1/20 0.39
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
ERCC5 P28715 1/20 0.39
POLB P06746 2/20 0.39
PKM P14618 1/20 0.39
HTT P42858 1/20 0.38

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 0.81 MEN1 (0.53) MEN1KMT2AKDM4EHKDC1CMA1
SCHEMBL2643315 0.79 F2 (0.44) MEN1KMT2AKDM4EHKDC1ALDH1A1
SCHEMBL2660345 0.79 F2 (0.44) MEN1KMT2AKDM4EHKDC1ALDH1A1
SCHEMBL2644855 0.75 KDM4E (0.57) MEN1KMT2AKDM4EHKDC1CMA1
SCHEMBL2644833 0.75 KDM4E (0.46) MEN1KMT2AKDM4EHKDC1CMA1
SCHEMBL2644568 0.73 MEN1 (0.45) MEN1KMT2AKDM4EHKDC1CMA1
SCHEMBL2643272 0.72 KDM4E (0.46) MEN1KMT2AKDM4EHKDC1CMA1
SCHEMBL2644259 0.70 MEN1 (0.46) MEN1KMT2AKDM4EHKDC1ALDH1A1
SCHEMBL2643789 0.70 KMT2A (0.49) MEN1KMT2AALDH1A1POLB
SCHEMBL2643195 0.68 MEN1 (0.53) MEN1KMT2AALDH1A1PKMHTT

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 MEN1 4513/4885KMT2A 3063/4885LDHA 1465/4885

“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.