SCHEMBL2469846

SCHEMBL2469846

O=C(NCc1ccc(Oc2ccccc2)cc1)c1ccc(-c2nc(CN(C(=O)CCC3CCCC3)c3ccc(O)c(C(=O)O)c3)cs2)cc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 4/20 0.48
PPARA Q07869 1/20 0.41
ALDH1A1 P00352 2/20 0.40
EIF4E P06730 2/20 0.39
SLC6A9 P48067 1/20 0.39
SLC6A5 Q9Y345 1/20 0.39
MAPK14 Q16539 5/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
CYP3A4 P08684 1/20 0.38
HTT P42858 1/20 0.38
MMP13 P45452 1/20 0.38
KLKB1 P03952 1/20 0.37
PDK1 Q15118 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
SCHEMBL2468824 0.90 STAT3 (0.46) STAT3PPARAALDH1A1EIF4EMAPK14
SCHEMBL2466208 0.89 STAT3 (0.59) STAT3MAPK14SMN1; SMN2LMNACYP3A4
SCHEMBL2467356 0.87 STAT3 (0.56) STAT3PPARAALDH1A1EIF4EMAPK14
SCHEMBL2467885 0.84 STAT3 (0.52) STAT3PPARAEIF4EMAPK14SMN1; SMN2
SCHEMBL14208388 0.81 STAT3 (0.49) STAT3PPARAALDH1A1EIF4EMAPK14
SCHEMBL2470827 0.79 STAT3 (0.50) STAT3PPARAALDH1A1EIF4EKLKB1
SCHEMBL2470433 0.77 STAT3 (0.59) STAT3PPARAMAPK14SMN1; SMN2LMNA
SCHEMBL2471427 0.76 STAT3 (0.64) STAT3MAPK14SMN1; SMN2LMNACYP3A4
SCHEMBL2469102 0.75 STAT3 (0.54) STAT3PDK1
SCHEMBL2469071 0.74 STAT3 (0.60) STAT3PPARAMAPK14SMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1656139-B1 ARYL DICARBOXAMIDES MERCK SERONO SA (CH) 2011-10-05 EP claimed
US-7365225-B2 Aryl dicarboxamides LABORATOIRES SERONO SA (CH) 2008-04-29 US claimed
US-20060189583-A1 Aryl dicarboxamides MERCK SERONO SA (CH) 2006-08-24 US claimed
EP-1656139-B1 ARYL DICARBOXAMIDES MERCK SERONO SA (CH) 2011-10-05 EP disclosed
US-7365225-B2 Aryl dicarboxamides LABORATOIRES SERONO SA (CH) 2008-04-29 US disclosed
US-7365225-B2 Aryl dicarboxamides LABORATOIRES SERONO SA (CH) 2008-04-29 US disclosed
US-7365225-B2 Aryl dicarboxamides LABORATOIRES SERONO SA (CH) 2008-04-29 US disclosed
US-20060189583-A1 Aryl dicarboxamides MERCK SERONO SA (CH) 2006-08-24 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-20060189583-A1 Aryl dicarboxamides GPR119, PTPRS, ECHS1 STAT3 3402/4885PPARA 394/4885ALDH1A1 1704/4885

“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.