SCHEMBL5226741

SCHEMBL5226741

CCCCc1oc2ccc(C(=O)O)cc2c1C(=O)c1ccc(O)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EYA3 Q99504 5/20 0.72
PTPN1 P18031 1/20 0.72
SLC22A12 Q96S37 5/20 0.63
NR1H4 Q96RI1 1/20 0.58
CYP2C9 P11712 1/20 0.54
TTR P02766 1/20 0.54
SIRT3 Q9NTG7 1/20 0.48
ESR1 P03372 1/20 0.48
PGR P06401 1/20 0.48
CHRM2 P08172 1/20 0.48
HTR1A P08908 1/20 0.48
ADRA2A P08913 1/20 0.48
ADORA3 P0DMS8 1/20 0.48
CHRM1 P11229 1/20 0.48
DRD1 P21728 1/20 0.48
TBXA2R P21731 1/20 0.48
SLC6A2 P23975 1/20 0.48
PDE4A P27815 1/20 0.48
SLC6A4 P31645 1/20 0.48
ADRA1A P35348 1/20 0.48

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
SCHEMBL5020570 0.91 EYA3 (0.77) EYA3PTPN1SLC22A12NR1H4CYP2C9
SCHEMBL6140415 0.89 EYA3 (0.60) EYA3PTPN1SLC22A12NR1H4CYP2C9
SCHEMBL14552011 0.88 EYA3 (0.72) EYA3PTPN1SLC22A12NR1H4CYP2C9
SCHEMBL3249884 0.87 NR1H4 (0.58) EYA3PTPN1SLC22A12NR1H4TTR
SCHEMBL5225391 0.87 NR1H4 (0.60) EYA3PTPN1SLC22A12NR1H4CYP2C9
SCHEMBL6140040 0.87 EYA3 (0.67) EYA3PTPN1SLC22A12NR1H4CYP2C9
SCHEMBL5671722 0.87 EYA3 (0.67) EYA3PTPN1SLC22A12NR1H4CYP2C9
SCHEMBL11817673 0.87 EYA3 (0.70) EYA3PTPN1SLC22A12NR1H4CYP2C9
SCHEMBL4567255 0.87 EYA3 (0.70) EYA3PTPN1SLC22A12NR1H4CYP2C9
SCHEMBL3243305 0.86 NR1H4 (0.57) EYA3PTPN1SLC22A12NR1H4TTR

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-1315710-B1 AMINOALKOXYBENZOYL-BENZOFURAN OR BENZOTHIOPHENE DERIVATIVES, METHOD FOR PREPARING SAME AND COMPOSITIONS CONTAINING SAME SANOFI AVENTIS (FR) 2007-04-25 EP disclosed
US-6946483-B2 Aminoalkenylbenzoyl-benzofuran or benzothiophene, method for preparing same and compositions containing same SANOFI-AVENTIS (FR) 2005-09-20 US disclosed
EP-1315708-B1 AMINOALKENYLBENZOYL-BENZOFURAN OR BENZOTHIOPHENE DERIVATIVES, METHOD FOR PREPARING SAME AND COMPOSITIONS CONTAINING SAME SANOFI SYNTHELABO (FR) 2004-08-11 EP disclosed
US-20030187060-A1 Aminoalkenylbenzoyl-benzofuran or benzothiophene, method for preparing same and compositions containing same SANOFI (FR) 2003-10-02 US disclosed
EP-1315710-A1 AMINOALKOXYBENZOYL-BENZOFURAN OR BENZOTHIOPHENE DERIVATIVES, METHOD FOR PREPARING SAME AND COMPOSITIONS CONTAINING SAME SANOFI-SYNTHELABO (FR) 2003-06-04 EP disclosed
EP-1315708-A1 AMINOALKENYLBENZOYL-BENZOFURAN OR BENZOTHIOPHENE DERIVATIVES, METHOD FOR PREPARING SAME AND COMPOSITIONS CONTAINING SAME SANOFI-SYNTHELABO (FR) 2003-06-04 EP disclosed
WO-2002016338-A1 AMINOALKENYLBENZOYL-BENZOFURAN OR BENZOTHIOPHENE DERIVATIVES, METHOD FOR PREPARING SAME AND COMPOSITIONS CONTAINING SAME SANOFI-SYNTHELABO (FR) 2002-02-28 WO disclosed
WO-2002016340-A1 AMINOALKOXYBENZOYL-BENZOFURAN OR BENZOTHIOPHENE DERIVATIVES, METHOD FOR PREPARING SAME AND COMPOSITIONS CONTAINING SAME SANOFI-SYNTHELABO (FR) 2002-02-28 WO 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-20030187060-A1 Aminoalkenylbenzoyl-benzofuran or benzothiophene, method for preparing same and compositions containing same ABAT, TNNT2, BCAT2 EYA3 3231/4885PTPN1 1876/4885SLC22A12 2468/4885

“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.