SCHEMBL4064873

SCHEMBL4064873

CC(C)(C)N(C(=O)O)[C@H](CO)Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPI P09923 1/20 0.43
PKM P14618 1/20 0.43
PTGS1 P23219 1/20 0.43
XIAP P98170 1/20 0.43
SLC7A5 Q01650 1/20 0.43
TRPA1 O75762 1/20 0.43
OPRM1 P35372 2/20 0.43
OPRD1 P41143 2/20 0.43
OPRK1 P41145 2/20 0.43
HPGD P15428 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CYP1A2 P05177 1/20 0.42
CPA3 P15088 1/20 0.41
FOLH1 Q04609 1/20 0.41
CYP3A4 P08684 2/20 0.41
MAPK1 P28482 1/20 0.41
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL18344466 1.00 ALPI (0.43) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL5066181 1.00 ALPI (0.43) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL16932215 0.91 MME (0.46) PTGS1HTTALDH1A1LMNATSHR
SCHEMBL16932216 0.91 MME (0.46) PTGS1HTTALDH1A1LMNATSHR
Hydroxyamine SCHEMBL30526974 0.89 MME (0.44) PTGS1HTTCYP1A2CYP3A4ALDH1A1
SCHEMBL4234514 0.87 ALOX5 (0.55) PTGS1L3MBTL1
SCHEMBL2459695 0.86 MME (0.45) MEN1KMT2AALDH1A1LMNANPC1
SCHEMBL2102860 0.86 MME (0.45) MEN1KMT2AALDH1A1LMNANPC1
SCHEMBL5065736 0.86 CYP2C9 (0.41) PKMMEN1KMT2AHTTCYP1A2
SCHEMBL272595 0.86 ALPI (0.46) ALPIPKMPTGS1XIAPSLC7A5

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11220482-B2 Aminopyridinemethanol compounds and their use UNIVERSITE AMIENS PICARDIE JULES VERNE (FR) 2022-01-11 US disclosed
US-20200255379-A1 NOVEL AMINOPYRIDINEMETHANOL COMPOUNDS AND THEIR USE UNIV AMIENS PICARDIE JULES VERNE (FR) 2020-08-13 US disclosed
EP-3313840-B1 HETEROARYL SUBSTITUTED AMINOPYRIDINE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2019-07-24 EP disclosed
US-10294229-B2 Heteroaryl substituted aminopyridine compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2019-05-21 US disclosed
US-20180186799-A1 HETEROARYL SUBSTITUTED AMINOPYRIDINE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2018-07-05 US disclosed
EP-3313840-A1 HETEROARYL SUBSTITUTED AMINOPYRIDINE COMPOUNDS Bristol-Myers Squibb Company (US) 2018-05-02 EP disclosed
WO-2016210034-A1 HETEROARYL SUBSTITUTED AMINOPYRIDINE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2016-12-29 WO disclosed
EP-2621508-B1 N-CARBOXYALKYL AURISTATINS AND THE USE THEREOF SEATTLE GENETICS INC (US) 2015-08-26 EP disclosed
US-20150148298-A1 N-CARBOXYALKYL-AURISTATIN AND USE THEREOF SEATTLE GENETICS, INC. (US) 2015-05-28 US disclosed
US-8987209-B2 N-carboxyalkyl-auristatin and the use thereof SEATTLE GENETICS, INC. (US) 2015-03-24 US disclosed
US-20130261064-A1 N-CARBOXYALKYL-AURISTATIN AND THE USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-10-03 US disclosed
EP-1653961-A4 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORP (US) 2009-04-01 EP disclosed
US-20080318947-A1 Inhibitors of Akt Activity HEERDING DIRK A 2008-12-25 US disclosed
US-20080255143-A1 Inhibitors of Akt Activity SMITHKLINE BEECHAM CORPORATION (PA) 2008-10-16 US disclosed
EP-1653961-A1 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2006-05-10 EP disclosed
WO-2005011700-A1 INHIBITORS OF Akt ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2005-02-10 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 (8 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-11220482-B2 Aminopyridinemethanol compounds and their use QDPR, PNMT, CYP3A43 ALPI 1956/4885PKM 106/4885PTGS1 596/4885
US-10294229-B2 Heteroaryl substituted aminopyridine compounds IRAK4, IRAK3, IRAK2 ALPI 3974/4885PKM 2837/4885PTGS1 1101/4885
US-20130261064-A1 N-CARBOXYALKYL-AURISTATIN AND THE USE THEREOF HDGF, HGF, HGFAC ALPI 2038/4885PKM 3711/4885PTGS1 2930/4885
US-20080255143-A1 Inhibitors of Akt Activity PI4KB, PIK3CA, AKT2 ALPI 1828/4885PKM 889/4885PTGS1 1835/4885
US-20150148298-A1 N-CARBOXYALKYL-AURISTATIN AND USE THEREOF HDGF, HGFAC, HGF ALPI 1913/4885PKM 3323/4885PTGS1 2792/4885
US-20200255379-A1 NOVEL AMINOPYRIDINEMETHANOL COMPOUNDS AND THEIR USE QDPR, PNMT, CYP3A43 ALPI 3259/4885PKM 187/4885PTGS1 1196/4885
US-20080318947-A1 Inhibitors of Akt Activity PI4KB, PIK3CA, AKT2 ALPI 1828/4885PKM 889/4885PTGS1 1835/4885
US-20180186799-A1 HETEROARYL SUBSTITUTED AMINOPYRIDINE COMPOUNDS IRAK4, IRAK3, IRAK2 ALPI 3974/4885PKM 2837/4885PTGS1 1101/4885

“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.