Sugi Predict

Sugi Predict / Compounds / SCHEMBL2468211

SCHEMBL2468211

SCHEMBL2468211

O=C(O)COc1ccc(CN(Cc2csc(-c3ccc(C(=O)NCc4ccc(Oc5ccccc5)cc4)cc3)n2)C(=O)COc2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.49
▸ PPARA Q07869 2/20 0.47
▸ EPHX2 P34913 1/20 0.46
▸ NR1H4 Q96RI1 1/20 0.46
▸ MAPK14 Q16539 5/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ MMP13 P45452 1/20 0.46
▸ HPGD P15428 1/20 0.45
▸ KLKB1 P03952 3/20 0.45
▸ TP53 P04637 2/20 0.44
▸ MAPT P10636 2/20 0.44
▸ KLK1 P06870 1/20 0.42
▸ PTPN1 P18031 1/20 0.42
▸ GAA P10253 1/20 0.41
▸ PPARG P37231 1/20 0.41

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
SCHEMBL2466069 0.94 ALDH1A1 (0.47) ALDH1A1PPARAEPHX2NR1H4MAPK14
SCHEMBL5100796 0.89 MAPK14 (0.55) ALDH1A1PPARAEPHX2NR1H4MAPK14
SCHEMBL2471394 0.89 SLC6A9 (0.45) ALDH1A1PPARAEPHX2NR1H4MAPK14
SCHEMBL2472568 0.85 TP53 (0.49) ALDH1A1PPARAEPHX2NR1H4KLKB1
SCHEMBL2471479 0.82 MAPT (0.49) ALDH1A1SMN1; SMN2LMNATP53MAPT
SCHEMBL2470655 0.80 MAPT (0.49) ALDH1A1PPARASMN1; SMN2LMNAHTT
SCHEMBL6031864 0.80 ALDH1A1 (0.47) ALDH1A1PPARAEPHX2NR1H4MAPK14
SCHEMBL2473901 0.80 TP53 (0.47) ALDH1A1PPARAEPHX2NR1H4HPGD
SCHEMBL5100835 0.80 MAPT (0.47) ALDH1A1PPARAEPHX2NR1H4HPGD
SCHEMBL2473905 0.80 TP53 (0.47) ALDH1A1PPARAEPHX2NR1H4HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-A1 ARYL DICARBOXAMIDES Applied Research Systems ARS Holding N.V. (AN) 2006-05-17 — — EP claimed
WO-2005011685-A1 ARYL DICARBOXAMIDES APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2005-02-10 — — WO 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 ALDH1A1 1704/4885PPARA 394/4885EPHX2 1699/4885

“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.