SCHEMBL3020928

SCHEMBL3020928

CCCC(CC)C(=O)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.56
AKR1A1 P14550 1/20 0.56
CHRM3 P20309 1/20 0.56
HTR2A P28223 1/20 0.56
HTR2C P28335 1/20 0.56
ADRA1A P35348 1/20 0.56
HRH1 P35367 1/20 0.56
DRD3 P35462 1/20 0.56
SLC6A3 Q01959 1/20 0.56
HDAC1 Q13547 1/20 0.56
HDAC2 Q92769 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
CA2 P00918 7/20 0.48
MAPK1 P28482 1/20 0.48
TSHR P16473 3/20 0.48
CYP3A4 P08684 2/20 0.48
NFKB1 P19838 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
HDAC7 Q8WUI4 1/20 0.44
HDAC8 Q9BY41 1/20 0.44

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
SCHEMBL3014658 0.86 CA2 (0.68) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL165103 0.84 CA2 (0.44) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL30320036 0.81 GABRR1 (0.43) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL3020777 0.81 CA2 (0.56) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL9222116 0.81 HDAC1 (0.52) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL1300143 0.81 FOLH1 (0.46) HDAC1HDAC2HDAC8
Hydrochloric Acid SCHEMBL30807529 0.81 CA2 (0.55) CA2MAPK1SLC1A2SLC1A1GRIK1
SCHEMBL8249346 0.80 CHRM1 (0.50) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL9196088 0.80 CHRM1 (0.50) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL3019208 0.79 CHRM1 (0.50) CHRM1AKR1A1CHRM3HTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1635806-B1 METHOD FOR TREATING ALCOHOLIC HEPATITIS UNIV PITTSBURGH (US) 2008-05-28 EP claimed
EP-1494659-B1 PHARMACEUTICAL COMPOSITION COMPRISING AN ALPHA-KETOALKANOIC ACID ESTER OR -AMIDE AND LACTIC ACID OR A LACTIC ACID SALT CRITICAL THERAPEUTICS INC (US) 2005-10-12 EP claimed
WO-2020002138-A1 C5 OR C6 ACID ESTER-BASED CATALYST AND USE THEREOF IN A HYDROPROCESSING AND/OR HYDROCRACKING PROCESS IFP Energies Nouvelles (FR) 2020-01-02 WO disclosed
EP-1437401-B1 Oxidoreductase IEP GMBH (DE) 2010-12-15 EP disclosed
US-20100204161-A1 Substances and Pharmaceutical Compositions for the Inhibition of Glyoxalases and Their Use Against Bacteria BIOMAC PRIVATINSTITUT FUR MEDIZINISHE UND ZAHMEDIZ FORSCHUNG, ENTWICKLUNG UND DIAGNOSTIK GMBH (DE) 2010-08-12 US disclosed
US-20100040607-A1 Combination Therapy with Inhibitors of HMGB and Caspase for the Treatment of Inflammatory Diseases NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-02-18 US disclosed
US-20100040608-A1 Use of HMGB1 antagonists for the treatment of inflammatory skin conditions THE FEINSTEIN INSTITUTE FOR MEDICAL RESEARCH 2010-02-18 US disclosed
US-20080300303-A1 Substances and Pharmaceutical Compositions for the Inhibition of Glyoxalases and Their Use As Anti-Fungal Agents BIOMAC PRIVATINSTITUT FUER MEDIZINISCHE UND ZAHNMEDIZINISCHE FORSCHUNG, ENTWICKLUNG UND DIAGNOSTIK GMBH (DE) 2008-12-04 US disclosed
EP-1924327-A2 SUBSTANCES AND PHARMACEUTICAL COMPOSITIONS FOR THE INHIBITION OF GLYOXALASES AND THEIR USE TO COMBAT CANCER Biomac Privatinstitut für medizinische und Zahnmedizinische Forschung, Entwicklung und Diagnostik GmbH (DE) 2008-05-28 EP disclosed
EP-1909834-A2 USE OF HMGB1 ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY SKIN CONDITIONS Critical Therapeutics, Inc. (US) 2008-04-16 EP disclosed
EP-1907003-A2 COMBINATION THERAPY WITH INHIBITORS OF HMGB AND CASPASE FOR THE TREATMENT OF INFLAMMATORY DISEASES The Feinstein Institute for Medical Research (US) 2008-04-09 EP disclosed
EP-1814576-A2 COMBINATION THERAPIES OF HMGB AND COMPLEMENT INHIBITORS AGAINST INFLAMMATION Critical Therapeutics, Inc. (US) 2007-08-08 EP disclosed
WO-2007011606-A2 USE OF HMGBl ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY SKIN CONDITIONS CRITICAL THERAPEUTICS, INC. (US) 2007-01-25 WO disclosed
WO-2006124477-A2 COMBINATION THERAPY WITH INHIBITORS OF HMGB AND CASPASE FOR THE TREATMENT OF INFLAMMATORY DISEASES THE FEINSTEIN INSTITUTE FOR MEDICAL RESEARCH (US) 2006-11-23 WO disclosed
WO-2006108682-A2 SUBSTANCES AND PHARMACEUTICAL COMPOSITIONS FOR THE INHIBITION OF GLYOXALASES AND THEIR USE AS ANTI-FUNGAL AGENTS BIOMAC PRIVATINSTITUT FÜR MEDIZINISCHE UND ZAHNMEDIZINISCHE FORSCHUNG, ENTWICKLUNG UND DIAGNOSTIK GMBH (DE) 2006-10-19 WO disclosed
WO-2006108680-A2 SUBSTANCES AND PHARMACEUTICAL COMPOSITIONS FOR THE INHIBITION OF GLYOXALASES AND THEIR USE AGAINST PROTOZOA AND HELMINTHES BIOMAC PRIVATINSTITUT FÜR MEDIZINISCHE UND ZAHNMEDIZINISCHE FORSCHUNG, ENTWICKLUNG UND DIAGNOSTIK GMBH (DE) 2006-10-19 WO disclosed
WO-2006108679-A2 SUBSTANCES AND PHARMACEUTICAL COMPOSITIONS FOR THE INHIBITION OF GLYOXALASES AND THEIR USE TO COMBAT CANCER BIOMAC PRIVATINSTITUT FÜR MEDIZINISCHE UND ZAHNMEDIZINISCHE FORSCHUNG, ENTWICKLUNG UND DIAGNOSTIK GMBH (DE) 2006-10-19 WO disclosed
WO-2006108681-A2 SUBSTANCES AND PHARMACEUTICAL COMPOSITIONS FOR THE INHIBITION OF GLYOXALASES AND THEIR USE AGAINST BACTERIA BIOMAC PRIVATINSTITUT FÜR MEDIZINISCHE UND ZAHNMEDIZINISCHE FORSCHUNG, ENTWICKLUNG UND DIAGNOSTIK GMBH (DE) 2006-10-19 WO disclosed
WO-2006012373-A2 COMBINATION THERAPIES OF HMGB AND COMPLEMENT INHIBITORS AGAINST INFLAMMATION CRITICAL THERAPEUTICS, INC. (US) 2006-02-02 WO disclosed
EP-1437401-A1 Oxidoreductase Juelich Enzyme Products GmbH (DE) 2004-07-14 EP 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 (3 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-20080300303-A1 Substances and Pharmaceutical Compositions for the Inhibition of Glyoxalases and Their Use As Anti-Fungal Agents GLO1, G6PD, GRHPR CHRM1 298/4885AKR1A1 30/4885CHRM3 1057/4885
US-20100040607-A1 Combination Therapy with Inhibitors of HMGB and Caspase for the Treatment of Inflammatory Diseases HMGB2, HMGB3, HMGB1 CHRM1 4834/4885AKR1A1 2554/4885CHRM3 4580/4885
US-20100204161-A1 Substances and Pharmaceutical Compositions for the Inhibition of Glyoxalases and Their Use Against Bacteria GLO1, G6PD, GRHPR CHRM1 274/4885AKR1A1 26/4885CHRM3 1005/4885

“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.