SCHEMBL6140267

SCHEMBL6140267

CCCCc1oc2ccc(C(=O)OC(C)C)cc2c1C(=O)c1ccc(OS(=O)(=O)C(F)(F)F)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT3 Q9NTG7 3/20 0.49
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
OPRM1 P35372 1/20 0.48
DRD3 P35462 1/20 0.48
SLC6A3 Q01959 1/20 0.48
KCNH2 Q12809 1/20 0.48
HRH3 Q9Y5N1 1/20 0.48
NR1H4 Q96RI1 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
SCHEMBL6140554 0.91 SIRT3 (0.44) SIRT3ESR1PGRCHRM2HTR1A
SCHEMBL6593771 0.89 NR1H4 (0.55) ESR1PGRCHRM2HTR1AADRA2A
SCHEMBL6140406 0.85 ESR1 (0.51) ESR1PGRCHRM2HTR1AADRA2A
SCHEMBL15121511 0.85 ESR1 (0.51) ESR1PGRCHRM2HTR1AADRA2A
SCHEMBL6986408 0.85 EYA3 (0.65) SIRT3NR1H4PTPN1EYA3
SCHEMBL6140585 0.84 ESR1 (0.51) ESR1PGRCHRM2HTR1AADRA2A
SCHEMBL5671904 0.84 EYA3 (0.67) SIRT3NR1H4PTPN1EYA3
SCHEMBL15121439 0.82 ESR1 (0.48) ESR1PGRCHRM2HTR1AADRA2A
SCHEMBL15121438 0.82 ESR1 (0.70) ESR1PGRCHRM2HTR1AADRA2A
SCHEMBL6595106 0.80 NR1H4 (0.49) SIRT3ESR1PGRCHRM2HTR1A

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-6946483-B2 Aminoalkenylbenzoyl-benzofuran or benzothiophene, method for preparing same and compositions containing same SANOFI-AVENTIS (FR) 2005-09-20 US disclosed
US-20030187060-A1 Aminoalkenylbenzoyl-benzofuran or benzothiophene, method for preparing same and compositions containing same SANOFI (FR) 2003-10-02 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-20030187060-A1 Aminoalkenylbenzoyl-benzofuran or benzothiophene, method for preparing same and compositions containing same ABAT, TNNT2, BCAT2 SIRT3 2435/4885ESR1 3751/4885PGR 4201/4885

“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.