SCHEMBL6558713

SCHEMBL6558713

NNC(CC(=O)O)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GNPAT O15228 2/20 0.51
CA2 P00918 3/20 0.45
CA4 P22748 1/20 0.45
TDP1 Q9NUW8 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
CA1 P00915 1/20 0.40
SLC22A6 Q4U2R8 1/20 0.39
MME P08473 2/20 0.39
GABRR1 P24046 2/20 0.39
LMNA P02545 1/20 0.39
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
SCHEMBL7080110 1.00 GNPAT (0.51) GNPATCA2CA4TDP1SMN1; SMN2
SCHEMBL14625014 1.00 GNPAT (0.51) GNPATCA2CA4TDP1SMN1; SMN2
Ammonia Solution, Strong SCHEMBL27616755 0.97 GNPAT (0.50) GNPATCA2CA4TDP1SMN1; SMN2
SCHEMBL3469298 0.82 ECE1 (0.46) GNPATCA2CA1
SCHEMBL3821101 0.82 ECE1 (0.46) GNPATCA2CA1
Water SCHEMBL31495128 0.80 ECE1 (0.44) GNPATCA2CA1
SCHEMBL22042308 0.80 GNPAT (0.45) GNPATTDP1SMN1; SMN2LMNAFOLH1
Hydroxyamine SCHEMBL631500 0.79 CA2 (0.45) GNPATCA2CA4TDP1SMN1; SMN2
SCHEMBL633735 0.79 CA2 (0.45) GNPATCA2CA4TDP1SMN1; SMN2
SCHEMBL2916092 0.78 CA2 (0.48) CA2CA4TDP1SMN1; SMN2SLC22A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230136218-A1 METHODS AND COMPOSITIONS FOR TREATING ACUTE MYELOID LEUKEMIA PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2023-05-04 US claimed
WO-2021061874-A2 METHODS AND COMPOSITIONS FOR TREATING ACUTE MYELOID LEUKEMIA PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2021-04-01 WO claimed
US-20200263184-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING AND TREATING CANCER, CONTAINING MALATE-ASPARTATE SHUTTLE INHIBITOR AND ANTICANCER DRUG AS ACTIVE INGREDIENTS NATIONAL CANCER CENTER (KR) 2020-08-20 US claimed
EP-3610866-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING AND TREATING CANCER, CONTAINING MALATE-ASPARTATE SHUTTLE INHIBITOR AND ANTICANCER DRUG AS ACTIVE INGREDIENTS National Cancer Center (KR) 2020-02-19 EP claimed
CN-103214451-A Bicyclol amino acid ester and preparation method and application thereof NANJING UNIVERSITY OF TECHNOLOGY 2013-07-24 CN claimed
JP-63185964-A None JP disclosed
JP-63185950-A None JP disclosed
JP-63185949-A None JP disclosed
CN-120189497-A Purified arylsulfatase A and compositions thereof 武田药品工业株式会社 2025-06-24 CN disclosed
EP-4479741-A1 METHOD FOR DETERMINING A PARAMETER OF A COMPOSITION OF NATURAL ORIGIN FOR DETERMINING THE MOST SUITABLE TREATMENT FOR THE REMOVAL OF HETEROATOMS FROM SAID COMPOSITION TotalEnergies OneTech (FR) 2024-12-25 EP disclosed
WO-2024213854-A1 METHOD FOR HYDROTREATING A COMPOSITION OF NATURAL ORIGIN TOTALENERGIES ONETECH (FR) 2024-10-17 WO disclosed
CN-118460505-A Purified arylsulfatase A and compositions thereof 武田药品工业株式会社 2024-08-09 CN disclosed
US-6350893-B1 REACTION OF DIALKYL CARBONATE WITH BENZYL ALCOHOL IN THE PRESENCE OF BASIC CATALYST BAYER AKTIENGESELLSCHAFT (DE) 2002-02-26 US disclosed
CN-1299370-A Purification of proteins by ion exchange chromatography GENENTECH INC (US) 2001-06-13 CN disclosed
US-6160160-A Process for preparing benzyl carbazates BAYER AKTIENGESELLSCHAFT (DE) 2000-12-12 US disclosed
EP-0987249-A1 Process for the preparation of benzyl carbazates Bayer Aktiengesellschaft (DE) 2000-03-22 EP disclosed
US-5756824-A Process for the preparation of carbazates BAYER AKTIENGESELLSCHAFT (DE) 1998-05-26 US disclosed
JP-S63185949-A HYDRAZINOSUCCINIC ACID DIESTER NISSAN CHEM IND LTD 1988-08-01 JP disclosed
JP-S63185964-A PRODUCTION OF PYRAZOLES NISSAN CHEM IND LTD 1988-08-01 JP disclosed
JP-S63185950-A METHYLENEHYDRAZINOSUCCINIC ACID DIESTER NISSAN CHEM IND LTD 1988-08-01 JP 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 (1 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-20200263184-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING AND TREATING CANCER, CONTAINING MALATE-ASPARTATE SHUTTLE INHIBITOR AND ANTICANCER DRUG AS ACTIVE INGREDIENTS SLC25A11, SLC16A1, MDH1 GNPAT 153/4885CA2 410/4885CA4 731/4885

“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.