SCHEMBL697053

SCHEMBL697053

O=C(O)C[C@H](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
SCHEMBL697052 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 75 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016116076-A1 NEW POSSIBILITIES OF CHIRAL RESOLUTION OF BEDAQUILINE ZENTIVA, K.S. (CZ) 2016-07-28 WO claimed
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
US-20240252693-A1 FOLATE RECEPTOR-TARGETED RADIOTHERAPEUTIC AGENTS AND THEIR USE NOVARTIS PHARMACEUTICALS CORPORATION 2024-08-01 US disclosed
EP-4323017-A1 FOLATE RECEPTOR-TARGETED RADIOTHERAPEUTIC AGENTS AND THEIR USE Novartis AG (CH) 2024-02-21 EP disclosed
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-11607421-B2 Ethanolamine-based lipid biosynthetic compounds, method of making and use thereof METANOI THERAPEUTICS, INC. (US) 2023-03-21 US disclosed
CN-115666542-A Ethanolamine formulations for the treatment of epithelial ovarian cancer 梅塔诺伊治疗公司 2023-01-31 CN disclosed
WO-2022219569-A1 FOLATE RECEPTOR-TARGETED RADIOTHERAPEUTIC AGENTS AND THEIR USE NOVARTIS AG (CH) 2022-10-20 WO disclosed
EP-3781151-A1 BAMBUTEROL FOR THE TREATMENT OF ALZHEIMER'S DISEASE Université de Caen Normandie (FR) 2021-02-24 EP disclosed
EP-0439585-A1 IMMOBILISATION OF LIGANDS BY RADIO-DERIVATIZED POLYMERS. EPIPHARM ALLERGIE SERVICE (AT) 1991-08-07 EP disclosed
WO-1991002768-A1 IMMOBILISATION OF LIGANDS BY RADIO-DERIVATIZED POLYMERS EPIPHARM ALLERGIE-SERVICE GESELLSCHAFT M.B.H. (AT) 1991-03-07 WO disclosed
US-4935355-A USING PROTEASE TO COUPLE AMINO ACIDS IN PRESENCE OF POLYOL; BY-PRODUCT INHIBITION SYNTHETECH, INC. (US) 1990-06-19 US 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
EP-0239362-A2 Anti-tumor agents IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-09-30 EP 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-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

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-20040171836-A1 Method for producing optical-active cis-piperidine derivatives TYR, DDC, TARBP1 CA2 2307/4885CA1 2106/4885CASP3 1983/4885
US-11607421-B2 Ethanolamine-based lipid biosynthetic compounds, method of making and use thereof PHOSPHO1, SGMS2, CHKB CA2 4410/4885CA1 3038/4885CASP3 2702/4885
US-20240252693-A1 FOLATE RECEPTOR-TARGETED RADIOTHERAPEUTIC AGENTS AND THEIR USE FOLR1, FOLR2, FOLH1 CA2 4271/4885CA1 2437/4885CASP3 3333/4885
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.