SCHEMBL2644259

SCHEMBL2644259

COc1cc(CN2C(=O)C(C)=C(C)C2SCC(=O)O)cc(OC)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
TDP1 Q9NUW8 1/20 0.41
CYP1A2 P05177 1/20 0.38
ALDH1A1 P00352 1/20 0.37
GRK6 P43250 1/20 0.34
LMNA P02545 1/20 0.34
SIGMAR1 Q99720 1/20 0.33
HDAC1 Q13547 1/20 0.33
AKR1B1 P15121 1/20 0.33
PTGS1 P23219 1/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
NR3C2 P08235 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HKDC1 Q2TB90 1/20 0.32

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 0.89 MEN1 (0.53) MEN1KMT2AALDH1A1AKR1B1KDM4E
SCHEMBL2644763 0.83 KMT2A (0.47) MEN1KMT2AALDH1A1LMNASIGMAR1
SCHEMBL2643763 0.81 KMT2A (0.47) MEN1KMT2ATDP1ALDH1A1LMNA
SCHEMBL2643674 0.80 MEN1 (0.60) MEN1KMT2AALDH1A1LMNAKDM4E
SCHEMBL2643321 0.79 MEN1 (0.55) MEN1KMT2ACYP1A2AKR1B1
SCHEMBL2643343 0.78 KMT2A (0.44) MEN1KMT2ATDP1ALDH1A1LMNA
SCHEMBL2643789 0.78 KMT2A (0.49) MEN1KMT2AALDH1A1LMNAHDAC1
SCHEMBL2643195 0.77 MEN1 (0.53) MEN1KMT2AALDH1A1
SCHEMBL2660303 0.76 WNT3A (0.36) MEN1KMT2AALDH1A1LMNA
SCHEMBL2644568 0.74 MEN1 (0.45) MEN1KMT2ACYP1A2ALDH1A1SIGMAR1

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 3063/4885TDP1 2750/4885

“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.