SCHEMBL2472563

SCHEMBL2472563

CC1(C)OC(=O)c2cc(N(Cc3ccc(C(=O)NCc4ccc(Oc5ccccc5)cc4)cc3)C(=O)CCC3CCCC3)ccc2O1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 7/20 0.41
HPGD P15428 1/20 0.39
PDK1 Q15118 1/20 0.39
STAT3 P40763 4/20 0.39
HTR5A P47898 1/20 0.39
PPARG P37231 2/20 0.38
PPARA Q07869 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
EPHX2 P34913 1/20 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
SMN1; SMN2 Q16637 1/20 0.38
SLC6A4 P31645 2/20 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
SCHEMBL2468565 0.85 LTB4R2 (0.39) STAT3HTR5ASLC6A4
SCHEMBL2471402 0.82 MAPT (0.39) HPGDSTAT3KDM4EALDH1A1LMNA
SCHEMBL2466208 0.81 STAT3 (0.59) MAPK14HPGDPDK1STAT3LMNA
SCHEMBL13711653 0.79 LTB4R2 (0.40) STAT3HTR5AALDH1A1HTTSMN1; SMN2
SCHEMBL13711728 0.78 STAT3 (0.39) STAT3HTR5AALDH1A1SLC6A4
SCHEMBL2857129 0.77 CNR2 (0.36) STAT3HTR5AALDH1A1POLBHTT
SCHEMBL2851001 0.76 LTB4R2 (0.39) HPGDSTAT3ALDH1A1LMNACYP3A4
SCHEMBL2858908 0.75 PTPN11 (0.36) HTR5AALDH1A1POLBSLC6A4
SCHEMBL2851580 0.74 STAT3 (0.36) STAT3HTR5AALDH1A1SMN1; SMN2SLC6A4
SCHEMBL2853674 0.74 LTB4R2 (0.37) STAT3ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1656139-B1 ARYL DICARBOXAMIDES MERCK SERONO SA (CH) 2011-10-05 EP disclosed
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 MAPK14 3299/4885HPGD 2888/4885PDK1 78/4885

“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.