SCHEMBL366153

SCHEMBL366153

O=C1C=CC(=O)CC(=O)C1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 1/20 0.71
GSK3B P49841 1/20 0.71
CYP1A2 P05177 1/20 0.40
CFTR P13569 1/20 0.35
GOPC Q9HD26 1/20 0.35
CYP2A6 P11509 1/20 0.33
CA1 P00915 1/20 0.32
CA9 Q16790 1/20 0.32
ALDH1A1 P00352 2/20 0.31
BCHE P06276 1/20 0.31
POLB P06746 1/20 0.31
MAOA P21397 1/20 0.31
ACHE P22303 1/20 0.31
MAOB P27338 1/20 0.31
APEX1 P27695 1/20 0.31
MAPK1 P28482 1/20 0.31
CASP1 P29466 1/20 0.31
RECQL P46063 1/20 0.31
BLM P54132 1/20 0.31
MDM2 Q00987 1/20 0.31

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
SCHEMBL277815 0.84
SCHEMBL7646093 0.77
SCHEMBL15226499 0.74
SCHEMBL7052754 0.70
SCHEMBL806914 0.69
SCHEMBL11666359 0.69
SCHEMBL17581123 0.69
SCHEMBL1431864 0.69
SCHEMBL28725512 0.69 CYP1A2 (0.44) GSK3AGSK3BCYP1A2CFTRGOPC
SCHEMBL232122 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170349949-A1 METHODS OF SELECTING SUBJECTS FOR TREATMENT WITH METABOLIC MODULATORS CLARIA PARTIKULA LLC 2017-12-07 US claimed
US-20250281445-A1 Method of dietary treatment for genetic and epigenetic diseases and disorders OTT DAVID MICHAEL (US) 2025-09-11 US disclosed
US-20220056488-A1 MICROORGANISMS AND METHODS FOR THE BIOSYNTHESIS OF AROMATICS, 2,4-PENTADIENOATE AND 1,3-BUTADIENE GENOMATICA INC (US) 2022-02-24 US disclosed
US-20210275487-A1 METHOD OF DIETARY TREATMENT FOR GENETIC AND EPIGENETIC DISEASES AND DISORDERS OTT DAVID MICHAEL (US) 2021-09-09 US disclosed
US-11026911-B2 Method of dietary treatment for genetic and epigenetic diseases and disorders OTT DAVID MICHAEL (US) 2021-06-08 US disclosed
US-10793882-B2 Microorganisms and methods for the biosynthesis of aromatics, 2,4-pentadienoate and 1,3-butadiene GENOMATICA, INC. (US) 2020-10-06 US disclosed
US-10583106-B2 Method of treating cancer by oral administration of acetate composition comprising magnesium acetate, calcium acetate or ethylacetate OTT DAVID MICHAEL (US) 2020-03-10 US disclosed
US-20190117610-A1 METHOD OF DIETARY TREATMENT FOR GENETIC AND EPIGENETIC DISEASES AND DISORDERS OTT DAVID MICHAEL (US) 2019-04-25 US disclosed
US-9968580-B2 Method of treating Rett syndrome by oral administration of acetate which is provided as composition comprising magnesium acetate, calcium acetate or ethylacetate OTT DAVID MICHAEL (US) 2018-05-15 US disclosed
EP-3312284-A2 MICROORGANISMS AND METHODS FOR THE BIOSYNTHESIS OF AROMATICS, 2,4-PENTADIENOATE AND 1,3-BUTADIENE Genomatica, Inc. (US) 2018-04-25 EP disclosed
WO-2011159658-A9 METHODS,ASSAYS, AND KITS RELATED TO DICHLOROACETATE (DCA) UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2012-01-19 WO disclosed
WO-2011159658-A2 METHODS,ASSAYS, AND KITS RELATED TO DICHLOROACETATE (DCA) UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2011-12-22 WO disclosed
WO-2011109874-A1 INHIBITION OF GLUTATHIONE TRANSFERASE ZETA THE AUSTRALIAN NATIONAL UNIVERSITY (AU) 2011-09-15 WO disclosed
WO-2011017560-A1 SEMI-SYNTHETIC TEREPHTHALIC ACID VIA MICROORGANISMS THAT PRODUCE MUCONIC ACID GENOMATICA, INC. (US) 2011-02-10 WO disclosed
EP-1523485-B1 3-FURANYL ANALOGS OF TOXOFLAVINE AS KINASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2007-02-14 EP disclosed
US-6653331-B2 Depleting intracellular reduced glutathione levels in vivo PHARMACIA & UPJOHN COMPANY 2003-11-25 US disclosed
EP-0909184-B1 TARGETED DRUG DELIVERY USING SULFONAMIDE DERIVATIVES UPJOHN CO (US) 2003-09-17 EP disclosed
US-20030109555-A1 TARGETED DRUG DELIVERY USING SULFONAMIDE DERIVATIVES PHARMACIA & UPJ0HN COMPANY 2003-06-12 US disclosed
EP-0909184-A2 TARGETED DRUG DELIVERY USING SULFONAMIDE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 1999-04-21 EP disclosed
WO-1998000173-A2 TARGETED DRUG DELIVERY USING SULFONAMIDE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 1998-01-08 WO 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-20030109555-A1 TARGETED DRUG DELIVERY USING SULFONAMIDE DERIVATIVES GSTP1, GSTA2, GSTA1 GSK3A 3876/4885GSK3B 4196/4885CYP1A2 678/4885

“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.