SCHEMBL622501

SCHEMBL622501

O=C(O)CC(=O)NCc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.68
KMT2A Q03164 4/20 0.66
MEN1 O00255 2/20 0.66
MCL1 Q07820 1/20 0.61
ALDH1A1 P00352 4/20 0.59
HTT P42858 1/20 0.59
HPGD P15428 1/20 0.59
LMNA P02545 1/20 0.59
L3MBTL1 Q9Y468 2/20 0.58
RAB9A P51151 1/20 0.58
HSP90AA1 P07900 1/20 0.58
MAPT P10636 1/20 0.58
EPHX2 P34913 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2C19 P33261 1/20 0.56

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
SCHEMBL3087061 0.91 GAA (0.73) GAAKMT2AMEN1MCL1ALDH1A1
SCHEMBL2247775 0.88 LMNA (0.72) GAAKMT2AMEN1ALDH1A1HTT
SCHEMBL7126303 0.83 GAA (0.63) GAAKMT2AMEN1MCL1ALDH1A1
SCHEMBL2109312 0.83 GAA (0.63) GAAKMT2AMEN1MCL1ALDH1A1
SCHEMBL6578808 0.83 GAA (0.63) GAAKMT2AMEN1MCL1ALDH1A1
SCHEMBL93948 0.83 GAA (0.75) GAAKMT2AMEN1ALDH1A1HTT
SCHEMBL392625 0.83 ALDH1A1 (0.82) GAAKMT2AMEN1ALDH1A1HPGD
SCHEMBL414454 0.83 GAA (0.68) GAAKMT2AMEN1MCL1ALDH1A1
SCHEMBL1186049 0.83 GAA (0.68) GAAKMT2AMEN1MCL1ALDH1A1
SCHEMBL25094969 0.82 ALDH1A1 (0.67) GAAALDH1A1HTTLMNARAB9A

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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115108933-B Synthesis method of lacosamide 上药康丽(常州)药业有限公司 2023-09-29 CN disclosed
US-9663488-B2 Metalloenzyme inhibitor compounds VIAMET PHARMACEUTICALS, INC. (US) 2017-05-30 US disclosed
US-20170073359-A1 Optically-Detectable Enzyme Substrates and Their Method of Use MOLECULAR PROBES, INC. 2017-03-16 US disclosed
US-20160139135-A1 Optically-Detectable Enzyme Substrates and Their Method of Use LIFE TECHNOLOGIES CORP (US) 2016-05-19 US disclosed
US-20150353546-A1 METALLOENZYME INHIBITOR COMPOUNDS Viamet Pharmaceuticals (NC), Inc. 2015-12-10 US disclosed
EP-2948450-A1 METALLOENZYME INHIBITOR COMPOUNDS Viamet Pharmaceuticals, Inc. (US) 2015-12-02 EP disclosed
US-8865891-B2 Optically-detectable enzyme substrates and their method of use Life Technologies Corporation (US) 2014-10-21 US disclosed
WO-2014117090-A1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2014-07-31 WO disclosed
US-20130090470-A1 OPTICALLY-DETECTABLE ENZYME SUBSTRATES AND THEIR METHOD OF USE Life Technologies Corporation (US) 2013-04-11 US disclosed
US-8318450-B2 Optically-detectable enzyme substrates and their method of use Life Technologies Corporation (US) 2012-11-27 US disclosed
EP-0366614-A2 Pharmaceutically active dithioketene derivatives YUHAN CORPORATION, LTD. (KR) 1990-05-02 EP disclosed
EP-0362002-A1 HIV protease inhibitors MERRELL DOW PHARMACEUTICALS INC. (US) 1990-04-04 EP disclosed
CN-1040582-A New peptidase inhibitors MERRELL DOW PHARMA (US) 1990-03-21 CN disclosed
EP-0356595-A1 Novel peptidase inhibitors MERRELL DOW PHARMACEUTICALS INC. (US) 1990-03-07 EP disclosed
EP-0310918-A2 Peptide-like amino-acid derivatives F. HOFFMANN-LA ROCHE AG (CH) 1989-04-12 EP disclosed
EP-0275101-A2 Novel peptidase inhibitors MERRELL DOW PHARMACEUTICALS INC. (US) 1988-07-20 EP disclosed
US-4738803-A ENZYME INHIBITORS ROQUES BERNARD (FR) 1988-04-19 US disclosed
US-4663319-A LIVER DISORDERS TANABE SEIYSKU CO., LTD. (JP) 1987-05-05 US disclosed
US-4618708-A ENKEPHALINASE INHIBITOR, ANALGESICS, ANTIDEPRESSANT, ANTIDIARRHEA, OR HYPOTENSIVE AGENT ROQUES BERNARD (FR) 1986-10-21 US disclosed
EP-0149534-A2 Novel thioketene derivatives and process for the preparation thereof Tanabe Seiyaku Co., Ltd. (JP) 1985-07-24 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 (4 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 GAA 6/4885KMT2A 1886/4885MEN1 511/4885
US-20160139135-A1 Optically-Detectable Enzyme Substrates and Their Method of Use MGAM, LCT, GAA GAA 3/4885KMT2A 3746/4885MEN1 3638/4885
US-20170073359-A1 Optically-Detectable Enzyme Substrates and Their Method of Use MGAM, LCT, GAA GAA 3/4885KMT2A 3746/4885MEN1 3638/4885
US-20130090470-A1 OPTICALLY-DETECTABLE ENZYME SUBSTRATES AND THEIR METHOD OF USE MGAM, LCT, GAA GAA 3/4885KMT2A 3746/4885MEN1 3638/4885

“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.