SCHEMBL3286247

SCHEMBL3286247

CC(=O)Oc1ccc(OCc2ccccc2)c(N(C(=O)OC(C)(C)C)S(=O)(=O)c2ccccc2)c1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 12/20 0.43
NFE2L2 Q16236 11/20 0.43
PTGES O14684 2/20 0.39
KCNH2 Q12809 2/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
PTPN1 P18031 1/20 0.38
POLB P06746 1/20 0.38
F2 P00734 1/20 0.38

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
SCHEMBL8819877 0.87 KEAP1 (0.40) KEAP1NFE2L2MEN1KMT2APTPN1
SCHEMBL3287375 0.87 KEAP1 (0.42) KEAP1NFE2L2F2
SCHEMBL6140114 0.85 AR (0.39) PTGESPTPN1
SCHEMBL5264076 0.84 KEAP1 (0.40) KEAP1NFE2L2MEN1KMT2AF2
SCHEMBL3289538 0.84 KEAP1 (0.40) KEAP1NFE2L2MEN1KMT2AF2
SCHEMBL6139688 0.80 CYP19A1 (0.45) KEAP1NFE2L2PTPN1
SCHEMBL5314203 0.79 KEAP1 (0.39) KEAP1NFE2L2PTGESKCNH2F2
SCHEMBL7467733 0.77 CYP19A1 (0.44) F2
SCHEMBL3142761 0.75 MEN1 (0.40) MEN1KMT2A
SCHEMBL3142767 0.75 MEN1 (0.40) MEN1KMT2A

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-7718646-B2 Cyclohexyl(alkyl)propanolamines, preparation method and pharmaceutical compositions containing same SANOFI-AVENTIS (FR) 2010-05-18 US disclosed
US-20080261949-A1 ethyl 4-[4-(2-hydroxy-3-(4-hydroxy-3-(methylsulphonylamino)phenoxy)propylamino)cyclohexyl]benzoic acid; beta-3 adrenergic receptor agonist; tocolytics; delaying preterm birth; antidiabetic; obesity; oxyalkylation of the phenyl(alkyl)cyclohexyl(alkyl)amine with a glycidyl ether SANOFI-AVENTIS (FR) 2008-10-23 US disclosed
US-7419974-B2 Cyclohexyl(alkyl)propanolamines, preparation method and pharmaceutical compositions containing same SANOFI-AVENTIS (FR) 2008-09-02 US disclosed
US-7388031-B2 Cyclohexyl(alkyl)-propanolamines, preparation method and pharmaceutical compositions containing same SANOFI-AVENTIS (FR) 2008-06-17 US disclosed
CN-1935787-A Cyclohexyl (alkyl) -propanolamines, process for their preparation and pharmaceutical compositions containing them SANOFI SYNTHELABO (FR) 2007-03-28 CN disclosed
US-20070015745-A1 Cyclohexyl(alkyl)propanolamines, Preparation Method and Pharmaceutical Compositions Containing Same SANOFI-AVENTIS (FR) 2007-01-18 US disclosed
CN-1283622-C Cyclohexyl (alkyl) -propanolamines, process for their preparation and pharmaceutical compositions containing them SANOFI SYNTHELABO (FR) 2006-11-08 CN disclosed
US-20040053916-A1 Cyclohexyl(alkyl)-propanolamines, preparation method and pharmaceutical compositions containing same SANOFI (FR) 2004-03-18 US disclosed
CN-1478074-A Cyclohexyl (alkyl) -propanolamines, process for their preparation and pharmaceutical compositions containing them ʥŵ��-�ϳ�ʵ���ҹ�˾ 2004-02-25 CN 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 (3 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-20080261949-A1 ethyl 4-[4-(2-hydroxy-3-(4-hydroxy-3-(methylsulphonylamino)phenoxy)propylamino)cyclohexyl]benzoic acid; beta-3 adrenergic receptor agonist; tocolytics; delaying preterm birth; antidiabetic; obesity; oxyalkylation of the phenyl(alkyl)cyclohexyl(alkyl)amine with a glycidyl ether ADRB3, FFAR3, ADRB2 KEAP1 3522/4885NFE2L2 1005/4885PTGES 320/4885
US-20070015745-A1 Cyclohexyl(alkyl)propanolamines, Preparation Method and Pharmaceutical Compositions Containing Same C5, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, C1R KEAP1 2983/4885NFE2L2 1778/4885PTGES 1383/4885
US-20040053916-A1 Cyclohexyl(alkyl)-propanolamines, preparation method and pharmaceutical compositions containing same H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, ADRA2C, ADRA1A KEAP1 3432/4885NFE2L2 1861/4885PTGES 2821/4885

“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.