SCHEMBL5950226

SCHEMBL5950226

CC(C)(C)OC(=O)N(CCC=O)C[C@@H](O[Si](C)(C)C(C)(C)C)c1cccc(Cl)c1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.35
ADRB3 P13945 1/20 0.32
CPB2 Q96IY4 1/20 0.32
S1PR3 Q99500 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KDM4E B2RXH2 1/20 0.31
BACE1 P56817 1/20 0.31
XPO1 O14980 1/20 0.31

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
SCHEMBL6437304 0.90 AOC3 (0.36) AOC3CPB2S1PR3SMN1; SMN2BACE1
SCHEMBL5949847 0.90 AOC3 (0.36) AOC3CPB2S1PR3SMN1; SMN2BACE1
SCHEMBL5949849 0.90 AOC3 (0.36) AOC3CPB2S1PR3SMN1; SMN2BACE1
SCHEMBL7977761 0.87 AOC3 (0.35) AOC3CPB2S1PR3BACE1XPO1
SCHEMBL7716904 0.86 AOC3 (0.36) AOC3ADRB3CPB2S1PR3BACE1
SCHEMBL7716942 0.84 AOC3 (0.38) AOC3ADRB3S1PR3BACE1
SCHEMBL7716940 0.84 AOC3 (0.38) AOC3ADRB3S1PR3BACE1
SCHEMBL4474573 0.84 ADRB3 (0.39) AOC3ADRB3CPB2KDM4EBACE1
SCHEMBL4474577 0.84 ADRB3 (0.39) AOC3ADRB3CPB2KDM4EBACE1
SCHEMBL9267480 0.83 AOC3 (0.36) AOC3S1PR3KDM4EBACE1XPO1

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-20060148887-A1 Chemical compounds OXFORD FINANCE LLC, AS COLLATERAL AGENT 2006-07-06 US disclosed
US-7034053-B2 Phenethanolamine derivatives, compositions, and their use as agonists at atypical beta-adrenoreceptors SMITHKLINE BEECHAM CORPORATION (US) 2006-04-25 US disclosed
EP-1087943-B1 THERAPEUTIC BIARYL DERIVATIVES GLAXO GROUP LTD (GB) 2005-08-17 EP disclosed
EP-1366033-B1 CHEMICAL COMPOUNDS GLAXO GROUP LTD (GB) 2005-04-27 EP disclosed
US-20040106672-A1 beta-adrenoceptor agonist for the prevention or treatment of obesity; Suitable compounds of formula (I) of the invention include:2-(3-{2R-[2-(3-Chlorophenyl)-2R-hydroxyl-ethylamino]propylamino}phenyl)furan-3-carboxylic acid B3AR THERAPEUTICS, INC. 2004-06-03 US disclosed
EP-1366033-A1 CHEMICAL COMPOUNDS GLAXO GROUP LIMITED (GB) 2003-12-03 EP disclosed
WO-2002060885-A1 CHEMICAL COMPOUNDS GLAXO GROUP LIMITED (GB) 2002-08-08 WO disclosed
US-6251925-B1 AN AGONISTS FOR HUMAN BETA-3 ADRENOCEPTOR GLAXO WELLCOME INC. 2001-06-26 US disclosed
WO-2001042217-A1 BETA-3 ADRENOCEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2001-06-14 WO disclosed
EP-1087943-A1 THERAPEUTIC BIARYL DERIVATIVES GLAXO GROUP LIMITED (GB) 2001-04-04 EP disclosed
WO-1999065877-A1 THERAPEUTIC BIARYL DERIVATIVES GLAXO GROUP LIMITED (GB) 1999-12-23 WO disclosed
WO-1998043953-A1 NAPHTHALENESULPHONIC OR CARBOXYLIC ACIDS AND THEIR USE AS ATYPICAL BETA-ADRENOCEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 1998-10-08 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 (2 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-20040106672-A1 beta-adrenoceptor agonist for the prevention or treatment of obesity; Suitable compounds of formula (I) of the invention include:2-(3-{2R-[2-(3-Chlorophenyl)-2R-hydroxyl-ethylamino]propylamino}phenyl)furan-3-carboxylic acid ADRB3, ADRB1, ADRB2 AOC3 233/4885ADRB3 1/4885CPB2 1613/4885
US-20060148887-A1 Chemical compounds ADRB3, GPR119, ADRB1 AOC3 481/4885ADRB3 1/4885CPB2 2568/4885

“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.