SCHEMBL2644853

SCHEMBL2644853

COc1ccc(CN2C(=O)C(c3ccccc3)=C(c3ccccc3)C2SCC(=O)O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.43
NR1H3 Q13133 1/20 0.43
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
ALDH1A1 P00352 1/20 0.40
KDM4E B2RXH2 1/20 0.40
HKDC1 Q2TB90 1/20 0.40
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
ERCC5 P28715 1/20 0.39
FEN1 P39748 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
MMP1 P03956 1/20 0.39
MMP3 P08254 1/20 0.39
MMP9 P14780 1/20 0.39
TBXA2R P21731 1/20 0.38
CASP3 P42574 1/20 0.38
AKR1C3 P42330 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) MEN1KMT2AALDH1A1KDM4EHKDC1
SCHEMBL2643159 0.80 MEN1 (0.40) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL2659448 0.79 MEN1 (0.39) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL2644276 0.77 MEN1 (0.42) NR1H2NR1H3MEN1KMT2ANPC1
SCHEMBL5457165 0.76 ALDH1A1 (0.44) MEN1KMT2AALDH1A1KDM4EHKDC1
SCHEMBL5459715 0.75 ALDH1A1 (0.43) MEN1KMT2AALDH1A1KDM4EHKDC1
SCHEMBL2642688 0.74 ALDH1A1 (0.44) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL15590087 0.72 KMT2A (0.35) NR1H2NR1H3MEN1KMT2ARAB9A
SCHEMBL2644259 0.71 MEN1 (0.46) MEN1KMT2AALDH1A1KDM4EHKDC1
SCHEMBL28080906 0.70 NR1H2 (0.71) NR1H2NR1H3MEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 NR1H2 2658/4885NR1H3 3014/4885MEN1 4513/4885

“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.