SCHEMBL5305447

SCHEMBL5305447

COc1ccc(NC(=O)OC(C)(C)C)c(C(=O)O)c1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
GAA P10253 3/20 0.42
MAPT P10636 4/20 0.41
TDP1 Q9NUW8 1/20 0.41
KDM4E B2RXH2 4/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
KMT2A Q03164 5/20 0.38
MAPK1 P28482 1/20 0.38
MEN1 O00255 4/20 0.38
HTT P42858 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NR1I2 O75469 1/20 0.38
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37

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
SCHEMBL10810203 0.89 ALDH1A1 (0.42) ALDH1A1GAAMAPTKDM4EHTT
SCHEMBL10809288 0.87 MAPT (0.46) ALDH1A1GAAMAPTTDP1KDM4E
SCHEMBL4038402 0.85 ALDH1A1 (0.46) ALDH1A1GAAMAPTTDP1KDM4E
SCHEMBL3979308 0.85 MEN1 (0.36) ALDH1A1GAAMAPTKDM4EKMT2A
SCHEMBL17221734 0.85 ALDH1A1 (0.41) ALDH1A1GAAKDM4ECA12CA1
SCHEMBL14494974 0.83 KDM4E (0.40) ALDH1A1GAAMAPTKDM4ECA12
SCHEMBL10344836 0.83 KDM4E (0.45) ALDH1A1GAAMAPTTDP1KDM4E
SCHEMBL3986627 0.82 CA12 (0.56) GAAMAPTKDM4ECA12CA1
SCHEMBL10808619 0.81 CYP1A2 (0.50) ALDH1A1MAPTTDP1KDM4EKMT2A
SCHEMBL1097144 0.78 BRD4 (0.49) ALDH1A1GAAKDM4EKMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0210857-A1 Process for the preparation of alkyl 2-carboalkoxy-3,4-dialkoxybenzenecarbamates ORTHO PHARMACEUTICAL CORPORATION (US) 1987-02-04 EP claimed
US-4617417-A Alkyl 2-carboalkoxy-3,4-dialkoxybenzenecarbamates and process for their preparation ORTHO PHARMACEUTICAL CORPORATION (US) 1986-10-14 US claimed
EP-2763539-B1 ANTIBACTERIAL COMPOUNDS GLAXO GROUP LTD (GB) 2017-02-08 EP disclosed
US-9340556-B2 Antibacterial compounds GLAXO GROUP LIMITED (GB) 2016-05-17 US disclosed
US-9340556-B2 Antibacterial compounds GLAXO GROUP LIMITED (GB) 2016-05-17 US disclosed
CN-104039152-A Antibacterial compounds GLAXO GROUP LTD 2014-09-10 CN disclosed
US-20140249126-A1 ANTIBACTERIAL COMPOUNDS GLAXO GROUP LIMITED (GB) 2014-09-04 US disclosed
US-20140249126-A1 ANTIBACTERIAL COMPOUNDS GLAXO GROUP LIMITED (GB) 2014-09-04 US disclosed
EP-2763539-A1 ANTIBACTERIAL COMPOUNDS Glaxo Group Limited (GB) 2014-08-13 EP disclosed
WO-2013052568-A1 ANTIBACTERIAL COMPOUNDS GLAXO GROUP LIMITED (GB) 2013-04-11 WO disclosed
WO-2007038571-A2 PROLYL HYDROXYLASE ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2007-04-05 WO disclosed
EP-1401443-A4 NOVEL ANTI-INFECTIVES SMITHKLINE BEECHAM CORP (US) 2005-10-26 EP disclosed
US-20040147739-A1 Novel anti-infectives SMITHKLINE BEECHAM CORPORATION 2004-07-29 US disclosed
EP-1401443-A1 NOVEL ANTI-INFECTIVES SMITHKLINE BEECHAM CORPORATION (US) 2004-03-31 EP disclosed
WO-2002098424-A1 NOVEL ANTI-INFECTIVES SMITHKLINE BEECHAM CORPORATION (US) 2002-12-12 WO disclosed
EP-0210857-A1 Process for the preparation of alkyl 2-carboalkoxy-3,4-dialkoxybenzenecarbamates ORTHO PHARMACEUTICAL CORPORATION (US) 1987-02-04 EP disclosed
US-4617417-A Alkyl 2-carboalkoxy-3,4-dialkoxybenzenecarbamates and process for their preparation ORTHO PHARMACEUTICAL CORPORATION (US) 1986-10-14 US 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-20040147739-A1 Novel anti-infectives RPL5, RPL7, RPL35 ALDH1A1 1494/4885GAA 197/4885MAPT 4204/4885
US-20140249126-A1 ANTIBACTERIAL COMPOUNDS MRPL21, PEPD, ABCB11 ALDH1A1 3841/4885GAA 712/4885MAPT 3577/4885

“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.