SCHEMBL9682236

SCHEMBL9682236

CC(=O)CC(=O)O[C@H](C)CC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.44
GAA P10253 1/20 0.44
SI P14410 1/20 0.44
MGAM2 Q2M2H8 1/20 0.44
ALOX15 P16050 1/20 0.37
ALDH1A1 P00352 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
KDM4E B2RXH2 1/20 0.35
KDM6B O15054 1/20 0.35
KDM5C P41229 1/20 0.35
EGLN1 Q9GZT9 1/20 0.35
PHF8 Q9UPP1 1/20 0.35
KDM2A Q9Y2K7 1/20 0.35
CACNA2D1 P54289 2/20 0.35
CACNB3 P54284 1/20 0.35
CACNA1C Q13936 1/20 0.35
PGR P06401 1/20 0.35
ADRA1A P35348 1/20 0.35
HTR2B P41595 1/20 0.35
CACNA2D2 Q9NY47 1/20 0.35

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
SCHEMBL6650078 1.00 MGAM (0.44) MGAMGAASIMGAM2ALOX15
SCHEMBL4682244 1.00 MGAM (0.44) MGAMGAASIMGAM2ALOX15
SCHEMBL804645 0.96 MGAM (0.41) MGAMGAASIMGAM2ALOX15
Acetoacetic Acid SCHEMBL2189217 0.83 MGAM (0.33) MGAMGAASIMGAM2ALOX15
SCHEMBL17481290 0.83 MMP1 (0.38) ALOX15TDP1CACNA2D1CACNB3CACNA1C
SCHEMBL13978415 0.83 MGAM (0.56) MGAMGAASIMGAM2ALDH1A1
SCHEMBL19864353 0.83 MGAM (0.56) MGAMGAASIMGAM2ALDH1A1
SCHEMBL12922365 0.82 MGAM (0.54) MGAMGAASIMGAM2ALDH1A1
SCHEMBL944289 0.81 MGAM (0.39) MGAMGAASIMGAM2ALDH1A1
SCHEMBL29124665 0.80 CYP1A2 (0.40) ALOX15TDP1KDM6BKDM5CEGLN1

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3634430-B1 MULTIBIOTIC AGENTS AND METHODS OF USING THE SAME FLAGSHIP PIONEERING INNOVATIONS V INC (US) 2024-08-07 EP disclosed
EP-4267121-A1 KETONE BODY ESTERS OF S-BETA-HYDROXYBUTYRATE AND/OR S-1,3-BUTANEDIOL FOR MODIFYING METABOLIC FUNCTION Axcess Global Sciences, LLC (US) 2023-11-01 EP disclosed
US-11786499-B2 Ketone body esters of S-beta-hydroxybutyrate and/or S-1,3-butanediol for modifying metabolic function AXCESS GLOBAL SCIENCES, LLC (US) 2023-10-17 US disclosed
US-20230293458-A1 MULTIBIOTIC AGENTS AND METHODS OF USING THE SAME FLAGSHIP PIONEERING INNOVATIONS V INC (US) 2023-09-21 US disclosed
US-20230293458-A1 MULTIBIOTIC AGENTS AND METHODS OF USING THE SAME FLAGSHIP PIONEERING INNOVATIONS V INC (US) 2023-09-21 US disclosed
WO-2022140130-A1 KETONE BODY ESTERS OF S-BETA-HYDROXYBUTYRATE AND/OR S-1,3-BUTANEDIOL FOR MODIFYING METABOLIC FUNCTION AXCESS GLOBAL SCIENCES, LLC (US) 2022-06-30 WO disclosed
US-20220133673-A1 KETONE BODY ESTERS OF S-BETA-HYDROXYBUTYRATE AND/OR S-1,3-BUTANEDIOL FOR MODIFYING METABOLIC FUNCTION AXCESS GLOBAL SCIENCES, LLC 2022-05-05 US disclosed
US-11202769-B2 Ketone body esters of s-beta-hydroxybutyrate and/or s-1,3-butanediol for modifying metabolic function AXCESS GLOBAL SCIENCES, LLC (US) 2021-12-21 US disclosed
US-20210169831-A1 KETONE BODY ESTERS OF S-BETA-HYDROXYBUTYRATE AND/OR S-1,3-BUTANEDIOL FOR MODIFYING METABOLIC FUNCTION AXCESS GLOBAL SCIENCES, LLC 2021-06-10 US disclosed
EP-3634430-A1 MULTIBIOTIC AGENTS AND METHODS OF USING THE SAME Flagship Pioneering Innovations V, Inc. (US) 2020-04-15 EP disclosed
US-20200101030-A1 MULTIBIOTIC AGENTS AND METHODS OF USING THE SAME KINTAI THERAPEUTICS, INC. 2020-04-02 US disclosed
CN-110869024-A Multi-biological agents and methods of use thereof 旗舰创业创新五公司 2020-03-06 CN disclosed
WO-2018226732-A1 MULTIBIOTIC AGENTS AND METHODS OF USING THE SAME FLAGSHIP PIONEERING INNOVATIONS V, INC. (US) 2018-12-13 WO disclosed
US-5126373-A Ester or diester of 1,3-butanediol or 1,3-pentanediol; side effect reduction BRUNENGRABER HENRI (US) 1992-06-30 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-20220133673-A1 KETONE BODY ESTERS OF S-BETA-HYDROXYBUTYRATE AND/OR S-1,3-BUTANEDIOL FOR MODIFYING METABOLIC FUNCTION HADHB, BCKDK, CPT1B MGAM 1292/4885GAA 3807/4885SI 453/4885
US-11786499-B2 Ketone body esters of S-beta-hydroxybutyrate and/or S-1,3-butanediol for modifying metabolic function HADHB, BCKDK, CPT1B MGAM 1292/4885GAA 3807/4885SI 453/4885
US-11202769-B2 Ketone body esters of s-beta-hydroxybutyrate and/or s-1,3-butanediol for modifying metabolic function HADHB, BCKDK, CPT1B MGAM 1292/4885GAA 3807/4885SI 453/4885
US-20210169831-A1 KETONE BODY ESTERS OF S-BETA-HYDROXYBUTYRATE AND/OR S-1,3-BUTANEDIOL FOR MODIFYING METABOLIC FUNCTION HADHB, BCKDK, CPT1B MGAM 1292/4885GAA 3807/4885SI 453/4885
US-20200101030-A1 MULTIBIOTIC AGENTS AND METHODS OF USING THE SAME SI, FABP2, CEL MGAM 8/4885GAA 177/4885SI 1/4885
US-20230293458-A1 MULTIBIOTIC AGENTS AND METHODS OF USING THE SAME SI, FABP2, CEL MGAM 8/4885GAA 177/4885SI 1/4885

“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.