SCHEMBL697052

SCHEMBL697052

O=C(O)CC(NC(=O)c1ccccc1)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.65
CA1 P00915 4/20 0.65
CASP3 P42574 1/20 0.55
GAA P10253 1/20 0.54
MAPT P10636 1/20 0.54
ACE P12821 2/20 0.52
MME P08473 1/20 0.51
PTPN1 P18031 1/20 0.51
SLC1A2 P43004 1/20 0.50
TMPRSS15 P98073 1/20 0.49
IDO1 P14902 1/20 0.49

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
SCHEMBL697053 1.00 CA2 (0.65) CA2CA1CASP3GAAMAPT
SCHEMBL712931 1.00 CA2 (0.65) CA2CA1CASP3GAAMAPT
SCHEMBL29159682 0.98 CA2 (0.63) CA2CA1CASP3GAAMAPT
SCHEMBL28334970 0.86 CA2 (0.50) CA2CA1ACEPTPN1SLC1A2
SCHEMBL9829896 0.86 CA2 (0.66) CA2CA1CASP3PTPN1TMPRSS15
SCHEMBL5280601 0.86 CA2 (0.68) CA2CA1ACEPTPN1SLC1A2
SCHEMBL9829891 0.86 CA2 (0.66) CA2CA1CASP3PTPN1TMPRSS15
SCHEMBL5191250 0.86 CA2 (0.68) CA2CA1ACEPTPN1SLC1A2
Phenylalanine SCHEMBL10413087 0.85 SLC7A5 (0.59) CA2CA1GAAMAPTACE
SCHEMBL20875154 0.84 CTSL (0.50) CA2CA1CASP3GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070112216-A1 Method for producing chiral mercapto amino acids DSM FINE CHEMICALS AUSTRIA NFG GMBH & CO KG (AT) 2007-05-17 US claimed
EP-1457487-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE CIS-PIPERIDINE DERIVATIVES Toray Fine Chemicals Co., Ltd. (JP) 2004-09-15 EP claimed
US-20040171836-A1 Method for producing optical-active cis-piperidine derivatives TORAY FINE CHEMICALS CO., LTD., A CORPORATION OF JAPAN, (JP) 2004-09-02 US claimed
US-4213784-A Process for producing heat developable light-sensitive compositions and elements FUJI PHOTO FILM CO., LTD. (JP) 1980-07-22 US claimed
CN-117083088-A Folate receptor targeted radiotherapy agent and use thereof 诺华股份有限公司 2023-11-17 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
EP-3904446-A1 NUCLEATING AGENT FOR POLYOLEFIN RESIN, NUCLEATING AGENT COMPOSITION FOR POLYOLEFIN RESIN CONTAINING SAME, MASTER BATCH FOR POLYOLEFIN RESIN, POLYOLEFIN RESIN COMPOSITION, MOLDED ARTICLE THEREOF, FILM THEREOF, METHOD FOR PRODUCING POROUS FILM, AND PACKAGE ADEKA CORPORATION (JP) 2021-11-03 EP 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
US-10123985-B2 Therapeutic strategies for treating mitochondrial disorders WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2018-11-13 US disclosed
WO-2017172476-A1 POTENT INHIBITORS OF ASPARTATE N-ACETYL-TRANSFERASE FOR THE TREATMENT OF CANAVAN DISEASE THE UNIVERSITY OF TOLEDO (US) 2017-10-05 WO disclosed
US-20160354332-A1 THERAPEUTIC STRATEGIES FOR TREATING MITOCHONDRIAL DISORDERS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-12-08 US disclosed
WO-2016116076-A1 NEW POSSIBILITIES OF CHIRAL RESOLUTION OF BEDAQUILINE ZENTIVA, K.S. (CZ) 2016-07-28 WO disclosed
WO-1991002768-A1 IMMOBILISATION OF LIGANDS BY RADIO-DERIVATIZED POLYMERS EPIPHARM ALLERGIE-SERVICE GESELLSCHAFT M.B.H. (AT) 1991-03-07 WO disclosed
EP-0132373-B1 A NEUTRAL AMINO ACID COMPLEX AND A METHOD FOR OPTICAL RESOLUTION OF A DL-AMINO ACID AJINOMOTO CO., INC. (JP) 1988-10-05 EP disclosed
US-4661510-A FUNGICIDES SYNTEX (U.S.A.) INC. (US) 1987-04-28 US disclosed
US-4610827-A Amino acid complex and a method for optical resolution of a DL-amino acid AJINOMOTO CO., INC. (JP) 1986-09-09 US disclosed
EP-0134561-A1 Alpha-allenic-alpha-amino acids SYNTEX (U.S.A.) INC. (US) 1985-03-20 EP disclosed
EP-0132373-A1 A neutral amino acid complex and a method for optical resolution of a DL-amino acid AJINOMOTO CO., INC. (JP) 1985-01-30 EP disclosed
US-4213784-A Process for producing heat developable light-sensitive compositions and elements FUJI PHOTO FILM CO., LTD. (JP) 1980-07-22 US disclosed
US-3948861-A Polyamide-imides from bis-imide and dialdoxime RHONE-POULENC S.A. (FR) 1976-04-06 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 (6 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-20040171836-A1 Method for producing optical-active cis-piperidine derivatives TYR, DDC, TARBP1 CA2 2307/4885CA1 2106/4885CASP3 1983/4885
US-10123985-B2 Therapeutic strategies for treating mitochondrial disorders GOT2, GOT1, OTC CA2 3025/4885CA1 3127/4885CASP3 2504/4885
US-20200270202-A1 POTENT INHIBITORS OF ASPARTATE N-ACETYL-TRANSFERASE FOR THE TREATMENT OF CANAVAN DISEASE GOT1, ACAT1, GOT2 CA2 1887/4885CA1 1312/4885CASP3 3754/4885
US-11186541-B2 Potent inhibitors of aspartate N-acetyl-transferase for the treatment of Canavan disease GOT1, ACAT1, GOT2 CA2 1887/4885CA1 1312/4885CASP3 3754/4885
US-20160354332-A1 THERAPEUTIC STRATEGIES FOR TREATING MITOCHONDRIAL DISORDERS GOT2, GOT1, OTC CA2 3025/4885CA1 3127/4885CASP3 2504/4885
US-20070112216-A1 Method for producing chiral mercapto amino acids CPN1, AKR1C3, AHCY CA2 361/4885CA1 113/4885CASP3 1333/4885

“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.