SCHEMBL3289538

SCHEMBL3289538

CC(C)(C)OC(=O)N(c1cc(OC[C@@H]2CO2)ccc1OCc1ccccc1)S(=O)(=O)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 8/20 0.40
NFE2L2 Q16236 7/20 0.40
FFAR1 O14842 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
LMNA P02545 2/20 0.37
F2 P00734 1/20 0.37
PKM P14618 2/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
MMP9 P14780 1/20 0.36
MMP13 P45452 1/20 0.36
ADAM17 P78536 1/20 0.36
APP P05067 1/20 0.35
GHSR Q92847 1/20 0.35

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
SCHEMBL5264076 1.00 KEAP1 (0.40) KEAP1NFE2L2FFAR1MEN1KMT2A
SCHEMBL3142767 0.92 MEN1 (0.40) FFAR1MEN1KMT2ALMNAPKM
SCHEMBL3142761 0.92 MEN1 (0.40) FFAR1MEN1KMT2ALMNAPKM
SCHEMBL5203422 0.92 MEN1 (0.40) FFAR1MEN1KMT2ALMNAPKM
SCHEMBL3287419 0.90 MEN1 (0.39) KEAP1NFE2L2FFAR1MEN1KMT2A
SCHEMBL5263054 0.90 MEN1 (0.39) KEAP1NFE2L2FFAR1MEN1KMT2A
SCHEMBL5679194 0.88 MEN1 (0.37) FFAR1MEN1KMT2AALDH1A1APP
SCHEMBL6552283 0.88 MEN1 (0.37) FFAR1MEN1KMT2AALDH1A1APP
SCHEMBL5209967 0.87 MEN1 (0.36) FFAR1MEN1KMT2AAPPGHSR
SCHEMBL3290077 0.87 MEN1 (0.36) FFAR1MEN1KMT2AAPPGHSR

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 12 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

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 1005/4885FFAR1 10/4885
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 1778/4885FFAR1 226/4885
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 1861/4885FFAR1 164/4885

“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.