SCHEMBL4800772

SCHEMBL4800772

O=CNC(CC(=O)O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EEF2K O00418 3/20 0.47
GABBR2 O75899 1/20 0.46
GABBR1 Q9UBS5 1/20 0.46
ATM Q13315 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
ALDH1A1 P00352 1/20 0.46
EPHX1 P07099 1/20 0.43
CYP2C19 P33261 1/20 0.42
CTSA P10619 1/20 0.42
CYP2D6 P10635 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPT P10636 1/20 0.41
CYP26A1 O43174 1/20 0.41
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41

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
SCHEMBL6693226 0.86 CYP2C19 (0.45) GABBR2GABBR1ALDH1A1EPHX1CYP2C19
SCHEMBL13140927 0.81 RIPK1 (0.46) L3MBTL1EPHX1CYP2C19CYP2D6MEN1
SCHEMBL12572468 0.81 RIPK1 (0.46) L3MBTL1EPHX1CYP2C19CYP2D6MEN1
SCHEMBL4574137 0.81 RIPK1 (0.46) L3MBTL1EPHX1CYP2C19CYP2D6MEN1
SCHEMBL26228615 0.80 L3MBTL1 (0.51) L3MBTL1CYP2C19CTSASMN1; SMN2MAPT
SCHEMBL6270165 0.79 LMNA (0.46) ALDH1A1CYP2C19CYP2D6SMN1; SMN2MAPT
SCHEMBL8332653 0.79 EEF2K (0.50) EEF2KGABBR2GABBR1ATML3MBTL1
SCHEMBL1144429 0.77 ALDH1A1 (0.59) EEF2KGABBR2GABBR1ATML3MBTL1
SCHEMBL2300538 0.77 ALDH1A1 (0.59) EEF2KGABBR2GABBR1ATML3MBTL1
SCHEMBL4944942 0.77 GABBR2 (0.53) EEF2KGABBR2GABBR1ATML3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9663488-B2 Metalloenzyme inhibitor compounds VIAMET PHARMACEUTICALS, INC. (US) 2017-05-30 US disclosed
US-20150353546-A1 METALLOENZYME INHIBITOR COMPOUNDS Viamet Pharmaceuticals (NC), Inc. 2015-12-10 US disclosed
EP-1988078-B1 Carboxamide derivatives of pyrrolidine, piperidine and hexahydroazepine for the treatment of thrombosis disorders ORTHO MCNEIL PHARM INC (US) 2012-10-17 EP disclosed
US-7385080-B2 Method for producing optically active β-phenylalanine compounds AJINOMOTO CO., INC. (JP) 2008-06-10 US disclosed
EP-1141333-B1 PROCESS FOR THE ENZYMATIC PREPARATION OF AMINO ACID DERIVATIVES WITH ENHANCED OPTICAL PURITY DSM IP ASSETS BV (NL) 2006-06-14 EP disclosed
US-20050065366-A1 Method for producing optically active beta-phenylalanine compounds AJINOMOTO CO., INC. (JP) 2005-03-24 US disclosed
EP-1484314-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE BETA-PHENYLALANINE DERIVATIVES Ajinomoto Co., Inc. (JP) 2004-12-08 EP disclosed
EP-1349857-A1 PURINE DERIVATIVES AS PURINERGIC RECEPTOR ANTAGONISTS VERNALIS RESEARCH LIMITED (GB) 2003-10-08 EP disclosed
WO-2002055521-A1 PURINE DERIVATIVES AS PURINERGIC RECEPTOR ANTAGONISTS VERNALIS RESEARCH LIMITED (GB) 2002-07-18 WO disclosed
EP-1013769-A1 Process for the enzymatic preparation of amino acid derivatives with enhanced optical purity DSM N.V. (NL) 2000-06-28 EP 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-20150353546-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO EEF2K 1613/4885GABBR2 4193/4885GABBR1 3837/4885
US-20050065366-A1 Method for producing optically active beta-phenylalanine compounds PAH, NPEPPS, DNPEP EEF2K 559/4885GABBR2 1275/4885GABBR1 1300/4885

“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.