SCHEMBL3287375

SCHEMBL3287375

CC(C)(C)OC(=O)N(c1cc(O)ccc1OCc1ccccc1)S(=O)(=O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 10/20 0.42
NFE2L2 Q16236 9/20 0.42
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
F2 P00734 2/20 0.38
STAT5B P51692 1/20 0.38
CYP19A1 P11511 1/20 0.38
EGFR P00533 1/20 0.38
ELANE P08246 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
SCHEMBL7467733 0.90 CYP19A1 (0.44) MAPTCYP2C9CYP2C19SMN1; SMN2TDP1
SCHEMBL3286247 0.87 KEAP1 (0.43) KEAP1NFE2L2F2
SCHEMBL8817183 0.86 NQO2 (0.40) KEAP1NFE2L2MAPTSMN1; SMN2L3MBTL1
SCHEMBL5681907 0.85 HPGD (0.39) SMN1; SMN2L3MBTL1F2CYP19A1EGFR
SCHEMBL5203170 0.84 NPC1 (0.38) SMN1; SMN2L3MBTL1CYP19A1EGFR
SCHEMBL5314203 0.83 KEAP1 (0.39) KEAP1NFE2L2L3MBTL1NPSR1F2
SCHEMBL5264076 0.82 KEAP1 (0.40) KEAP1NFE2L2F2
SCHEMBL3289538 0.82 KEAP1 (0.40) KEAP1NFE2L2F2
SCHEMBL8818386 0.81 ESR1 (0.39) F2STAT5B
SCHEMBL5206971 0.78 CYP19A1 (0.47) MAPTCYP2C9CYP2C19SMN1; SMN2TDP1

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 13 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
EP-1341753-B1 CYCLOHEXYL(ALKYL)-PROPANOLAMINES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SANOFI AVENTIS (FR) 2007-09-26 EP 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
EP-1341753-A1 CYCLOHEXYL(ALKYL)-PROPANOLAMINES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME Sanofi-Aventis (FR) 2003-09-10 EP disclosed
WO-2002044139-A1 CYCLOHEXYL(ALKYL)-PROPANOLAMINES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SANOFI-SYNTHELABO (FR) 2002-06-06 WO disclosed
WO-1997034905-A1 PHOSPHORUS CONTAINING ARYLOXY AND ARYLTHIOPROPANOL AMINE DERIVATIVES USEFUL AS BETA ADRENORECEPTOR AGONISTS SMITHKLINE BEECHAM PLC (GB) 1997-09-25 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 (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 1005/4885MAPT 4694/4885
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 1778/4885MAPT 3345/4885
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 1861/4885MAPT 2288/4885

“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.