SCHEMBL613386

SCHEMBL613386

O=C(O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 18/20 0.67
MME P08473 1/20 0.61
ECE1 P42892 1/20 0.61
PPARG P37231 1/20 0.56
PPARA Q07869 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
SCHEMBL554032 1.00 CASP1 (0.67) CASP1MMEECE1PPARGPPARA
SCHEMBL376886 1.00 CASP1 (0.67) CASP1MMEECE1PPARGPPARA
SCHEMBL10605640 0.94 PPARA (0.62) CASP1MMEECE1PPARGPPARA
SCHEMBL10789378 0.94 MME (0.62) CASP1MMEECE1
SCHEMBL9069237 0.93 CASP1 (0.60) CASP1MMEECE1
SCHEMBL9069236 0.92 CASP1 (0.59) CASP1MMEECE1PPARGPPARA
SCHEMBL4280669 0.91 CASP1 (0.67) CASP1
SCHEMBL4280674 0.91 CASP1 (0.67) CASP1
SCHEMBL13589993 0.91 MME (0.65) MMEECE1
Tetrylammonium SCHEMBL14988987 0.91 CASP1 (0.58) CASP1MMEECE1PPARGPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3525791-B1 USE OF CASPASE-3 INHIBITORS AND CASPASE-3 ACTIVATORS IN THE MANUFACTURE OF MEDICAMENT FOR TREATING CANCER AND WOUND HEALING TECHNION RES & DEV FOUNDATION (IL) 2025-05-21 EP claimed
CN-119264459-B Zinc amino acid complex crystal material and preparation method and application thereof 德州学院 2025-03-04 CN claimed
CN-119264459-A Zinc amino acid complex crystal material and preparation method and application thereof 德州学院 2025-01-07 CN claimed
CN-112011495-B Recombinant escherichia coli for expressing thermolysin mutant and application thereof 江南大学 2022-12-16 CN claimed
CN-112011494-B Recombinant escherichia coli and application thereof in synthesis of aspartame through whole-cell transformation 江南大学 2022-12-02 CN claimed
WO-2022156189-A1 USE OF POLYPEPTIDE COMPOUND IN PREVENTION OR TREATMENT OF INFLAMMATORY BOWEL DISEASE AND INTESTINAL FIBROSIS RELATED THERETO 深圳市图微安创科技开发有限公司 2022-07-28 WO claimed
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
CN-112011495-A Recombinant escherichia coli for expressing thermolysin mutant and application thereof 江南大学 2020-12-01 CN claimed
CN-112011494-A Recombinant escherichia coli and application thereof in synthesis of aspartame through whole-cell transformation 江南大学 2020-12-01 CN 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
US-4570015-A ACIDIFYING AN ALKALINE AQUEOUS SOLUTION OF THE DIALKALI METAL SALTAT HIGH TWMPWRATURE; PURITY HATCO CHEMICAL CORPORATION (US) 1986-02-11 US claimed
US-4523026-A Synthesis of N-benzyloxycarbonyl-L-aspartic acid HATCO CHEMICAL CORPORATION (US) 1985-06-11 US claimed
US-4521514-A Process for producing an addition compound of a dipeptide ester and an amino acid ester TOYO SODA MANUFACTURING CO., LTD. (JP) 1985-06-04 US claimed
US-4518792-A FROM BENZYL CHLOROFORMATE AND ASPARTIC ACID SALT, SURFACTANT OR BUFFER TO IMPROVE PURITY HATCO CHEMICAL CORPORATION (US) 1985-05-21 US claimed
US-4508912-A UNING METAL OXIDE, HYDROXIDE, ACID OR ACID SALT, OR ORGANOBASIC COMPOUND CATALYST AJINOMOTO COMPANY, INCORPORATED (JP) 1985-04-02 US claimed
EP-0072015-B1 METHOD FOR PURIFYING N-BENZYLOXYCARBONYL ASPARTIC ACID PPG INDUSTRIES, INC. (US) 1984-10-31 EP claimed
US-4450284-A Method for purifying N-benzyloxycarbonyl aspartic acid PPG INDUSTRIES, INC. (US) 1984-05-22 US claimed
EP-0099585-A1 Process for producing an addition compound of a dipeptide ester and an amino acid ester TOYO SODA MANUFACTURING CO., LTD. (JP) 1984-02-01 EP claimed
EP-0072015-A1 Method for purifying N-benzyloxycarbonyl aspartic acid PPG INDUSTRIES, INC. (US) 1983-02-16 EP claimed
US-4293706-A CARBAMYLATION, NEUTRALIZATION PPG INDUSTRIES, INC. (US) 1981-10-06 US claimed

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 CASP1 3384/4885MME 613/4885ECE1 896/4885
US-11186541-B2 Potent inhibitors of aspartate N-acetyl-transferase for the treatment of Canavan disease GOT1, ACAT1, GOT2 CASP1 3384/4885MME 613/4885ECE1 896/4885

“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.