SCHEMBL9020944

SCHEMBL9020944

O=C(O)C[C@H](NC(=O)CCl)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.58
CA4 P22748 1/20 0.58
RECQL P46063 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MME P08473 3/20 0.42
CASP3 P42574 1/20 0.41
EPHX2 P34913 2/20 0.41
FNTA P49354 2/20 0.41
FNTB P49356 2/20 0.41
CA1 P00915 2/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.38
FOLH1 Q04609 1/20 0.38
RIMKLA Q8IXN7 1/20 0.38
NAALAD2 Q9Y3Q0 1/20 0.38

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
SCHEMBL9021123 1.00 CA2 (0.58) CA2CA4RECQLSMN1; SMN2MME
SCHEMBL13674348 0.82 CA2 (0.62) CA2CA4RECQLSMN1; SMN2MME
SCHEMBL4572564 0.82 CA2 (0.62) CA2CA4RECQLSMN1; SMN2MME
SCHEMBL11303240 0.80 TGFBR1 (0.52) CA2CA4SMN1; SMN2MMEFNTA
SCHEMBL3631353 0.80 TGFBR1 (0.52) CA2CA4SMN1; SMN2MMEFNTA
SCHEMBL4177566 0.80 CA2 (0.60) CA2CA4RECQLSMN1; SMN2MME
SCHEMBL4177568 0.80 CA2 (0.60) CA2CA4RECQLSMN1; SMN2MME
SCHEMBL28895692 0.80 CA2 (0.60) CA2CA4RECQLSMN1; SMN2MME
SCHEMBL15605900 0.80 CA2 (0.60) CA2CA4RECQLSMN1; SMN2MME
SCHEMBL29238597 0.80 CA2 (0.60) CA2CA4RECQLSMN1; SMN2MME

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11186541-B2 Potent inhibitors of aspartate N-acetyl-transferase for the treatment of Canavan disease THE UNIVERSITY OF TOLEDO (US) 2021-11-30 US claimed
US-20200270202-A1 POTENT INHIBITORS OF ASPARTATE N-ACETYL-TRANSFERASE FOR THE TREATMENT OF CANAVAN DISEASE THE UNIVERSITY OF TOLEDO (US) 2020-08-27 US claimed
CN-102060723-B Preparation method of cationic liposome nanoparticles of amino acid UNIV HUNAN NORMAL 2013-03-13 CN claimed
EP-0478729-B1 PROCESS FOR MANUFACTURING ASPARTAME FROM A DIKETOPIPERAZINE AND NOVEL INTERMEDIATES AND DERIVATIVES THEREFOR NUTRASWEET CO (US) 1996-08-21 EP claimed
EP-0478729-A4 PROCESS FOR MANUFACTURING ASPARTAME FROM A DIKETOPIPERAZINE AND NOVEL INTERMEDIATES AND DERIVATIVES THEREFOR 1993-06-16 EP claimed
EP-0493812-A1 Process for preparing diketopiperazine derivatives Ajinomoto Co., Ltd. (JP) 1992-07-08 EP claimed
EP-0493813-A1 2,5-Dioxopiperazine compound and processes for preparation thereof Ajinomoto Co., Inc. (JP) 1992-07-08 EP claimed
EP-0478729-A1 PROCESS FOR MANUFACTURING ASPARTAME FROM A DIKETOPIPERAZINE AND NOVEL INTERMEDIATES AND DERIVATIVES THEREFOR. NUTRASWEET CO (US) 1992-04-08 EP claimed
CN-1057835-A By the method for diketo-piperazine production aspartyl-phenylalanine methyl ester and new intermediate and derivative thereof NUTRASWEET CO (US) 1992-01-15 CN claimed
WO-1991014378-A1 PROCESS FOR MANUFACTURING ASPARTAME FROM A DIKETOPIPERAZINE AND NOVEL INTERMEDIATES AND DERIVATIVES THEREFOR THE NUTRASWEET COMPANY (US) 1991-10-03 WO claimed
JP-4234375-A None JP disclosed
CN-112121231-B Artificial blood platelet 太阳雨林(厦门)生物医药有限公司 2023-02-21 CN disclosed
US-11186541-B2 Potent inhibitors of aspartate N-acetyl-transferase for the treatment of Canavan disease THE UNIVERSITY OF TOLEDO (US) 2021-11-30 US disclosed
CN-112121231-A Artificial blood platelet 太阳雨林(厦门)生物医药有限公司 2020-12-25 CN disclosed
US-20200270202-A1 POTENT INHIBITORS OF ASPARTATE N-ACETYL-TRANSFERASE FOR THE TREATMENT OF CANAVAN DISEASE THE UNIVERSITY OF TOLEDO (US) 2020-08-27 US disclosed
EP-0493813-A1 2,5-Dioxopiperazine compound and processes for preparation thereof Ajinomoto Co., Inc. (JP) 1992-07-08 EP disclosed
EP-0478729-A1 PROCESS FOR MANUFACTURING ASPARTAME FROM A DIKETOPIPERAZINE AND NOVEL INTERMEDIATES AND DERIVATIVES THEREFOR. NUTRASWEET CO (US) 1992-04-08 EP disclosed
CN-1057835-A By the method for diketo-piperazine production aspartyl-phenylalanine methyl ester and new intermediate and derivative thereof NUTRASWEET CO (US) 1992-01-15 CN disclosed
WO-1991014378-A1 PROCESS FOR MANUFACTURING ASPARTAME FROM A DIKETOPIPERAZINE AND NOVEL INTERMEDIATES AND DERIVATIVES THEREFOR THE NUTRASWEET COMPANY (US) 1991-10-03 WO disclosed
US-4055663-A Halogenated acylamino acids as fungicides NATIONAL PATENT DEVELOPMENT CORPORATION (US) 1977-10-25 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-20200270202-A1 POTENT INHIBITORS OF ASPARTATE N-ACETYL-TRANSFERASE FOR THE TREATMENT OF CANAVAN DISEASE GOT1, ACAT1, GOT2 CA2 1887/4885CA4 1168/4885RECQL 706/4885
US-11186541-B2 Potent inhibitors of aspartate N-acetyl-transferase for the treatment of Canavan disease GOT1, ACAT1, GOT2 CA2 1887/4885CA4 1168/4885RECQL 706/4885

“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.