SCHEMBL910019

SCHEMBL910019

CCCCC(=O)C(=O)OCC

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.67
CES1 P23141 6/20 0.59
CES2 O00748 5/20 0.59
CA1 P00915 1/20 0.46
ALDH1A1 P00352 4/20 0.44
TP53 P04637 1/20 0.42
LMNA P02545 1/20 0.40
HSD17B10 Q99714 1/20 0.40
DGKA P23743 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GLO1 Q04760 1/20 0.40
CYP1A2 P05177 1/20 0.40

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
SCHEMBL3014656 0.93 FAAH (0.76) FAAHCES1CES2ALDH1A1HSD17B10
SCHEMBL1088961 0.91 FAAH (0.79) FAAHCES1CES2ALDH1A1HSD17B10
SCHEMBL7752209 0.91 FAAH (0.79) FAAHCES1CES2ALDH1A1HSD17B10
SCHEMBL1480610 0.91 FAAH (0.79) FAAHCES1CES2ALDH1A1HSD17B10
SCHEMBL7751187 0.91 FAAH (0.79) FAAHCES1CES2ALDH1A1HSD17B10
SCHEMBL7640125 0.91 FAAH (0.79) FAAHCES1CES2ALDH1A1HSD17B10
SCHEMBL18101453 0.90 FAAH (0.60) FAAHCES1CES2ALDH1A1LMNA
SCHEMBL10704882 0.88 FAAH (0.69) FAAHCES1CES2ALDH1A1LMNA
SCHEMBL28151009 0.86 CES1 (0.54) FAAHCES1CES2CA1ALDH1A1
SCHEMBL112407 0.85 CES2 (0.55) FAAHCES1CES2ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170239154-A1 PYRUVATE AND RELATED ALPHA-KETO CARBOXYLATES AS NOVEL ADJUVANTS IN THE TREATMENT OF POST TOOTH WHITENING SENSITIVITY AND THE TISSUE PROTECTIVE EFFECT OF PYRUVATE ON THE ORAL SOFT TISSUE RUSZNAK ZOLTAN (US) 2017-08-24 US claimed
US-9487602-B2 Furan based resin, process for the preparation thereof, and use of the compound DSM IP ASSETS B.V. (NL) 2016-11-08 US claimed
CN-103342656-B Synthesis method of Telaprevir intermediate SUZHOU UUGENE BIOPHARMA CO LTD 2015-04-08 CN claimed
CN-103342656-A Synthesis method of Telaprevir intermediate SUZHOU UUGENE BIOPHARMA CO LTD 2013-10-09 CN claimed
US-20130109822-A1 FURAN BASED RESIN, PROCESS FOR THE PREPARATION THEREOF, AND USE OF THE COMPOUND DSM IP ASSETS B.V. (NL) 2013-05-02 US claimed
US-20110306735-A1 PROCESS FOR THE PREPARATION OF A HYDROXY-AROMATIC RESIN; HYDROXY-AROMATIC RESIN, AND MODIFICATION THEREOF DSM IP ASSETS B.V. (NL) 2011-12-15 US claimed
US-20110021740-A1 FURAN BASED RESIN, PROCESS FOR THE PREPARATION THEREOF, AND USE OF THE COMPOUND DSM IP ASSETS B.V. (NL) 2011-01-27 US claimed
EP-2222656-A1 FURAN BASED RESIN, PROCESS FOR THE PREPARATION THEREOF, AND USE OF THE COMPOUND DSM IP Assets B.V. (NL) 2010-09-01 EP claimed
US-20090203851-A1 Process for the Preparation of a Hydroxy-Aromatic Resin: Hydroxy-Aromatic Resin, and Modification Thereof DSM IP ASSETS B.V. (NL) 2009-08-13 US claimed
WO-2009077587-A1 FURAN BASED RESIN, PROCESS FOR THE PREPARATION THEREOF, AND USE OF THE COMPOUND DSM IP ASSETS B.V. (NL) 2009-06-25 WO claimed
US-20040110833-A1 Method of using pyruvate and/or its derivatives for the treatment of cytokine-mediated inflammatory conditions UNIVERSITY OF PITTSBURGH OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2004-06-10 US claimed
EP-1379230-A1 METHOD OF USING PYRUVATE AND/OR ITS DERIVATIVES FOR THE TREATMENT OF CYTOKINE-MEDIATED INFLAMMATORY CONDITIONS University of Pittsburgh of the Commonwealth System of Higher Education (US) 2004-01-14 EP claimed
US-20030232884-A1 New pharmaceutical formulation CRITICAL THERAPEUTICS, INC. 2003-12-18 US claimed
US-20030216470-A1 Method for treating ileus CRITICAL THERAPEUTICS, INC. 2003-11-20 US claimed
WO-2003088955-A1 PHARMACEUTICAL COMPOSITION COMPRISING AN ALPHA-KETOALKANOIC ACID ESTER OR -AMINE AND LACTIC ACID OR A LACTIC ACID SALT CRITICAL THERAPEUTICS, INC. (US) 2003-10-30 WO claimed
WO-2003088956-A1 METHOD FOR TREATING ILEUS WITH AN ALPHA -KETOALKANOIC ACID OR - ESTER OR - AMIDE CRITICAL THERAPEUTICS, INC. (US) 2003-10-30 WO claimed
US-20030073743-A1 Pyruvate ester composition and method of use for resuscitation after events of ischemia and reperfusion XANTHUS LIFE SCIENCES, INC. (CA) 2003-04-17 US claimed
WO-2002074301-A1 METHOD OF USING PYRUVATE AND/OR ITS DERIVATIVES FOR THE TREATMENT OF CYTOKINE-MEDIATED INFLAMMATORY CONDITIONS UNIVERSITY OF PITTSBURGH OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2002-09-26 WO claimed
EP-1233767-A1 PYRUVATE ESTER COMPOSITION AND METHOD OF USE FOR RESUSCITATION AFTER EVENTS OF ISCHEMIA AND REPERFUSION Xanthus Life Sciences, Inc. (CA) 2002-08-28 EP claimed
WO-2001024793-A1 PYRUVATE ESTER COMPOSITION AND METHOD OF USE FOR RESUSCITATION AFTER EVENTS OF ISCHEMIA AND REPERFUSION XANTHUS LIFE SCIENCES, INC. (CA) 2001-04-12 WO claimed

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-20030232884-A1 New pharmaceutical formulation LIPA, CEL, LDHA FAAH 88/4885CES1 890/4885CES2 2709/4885
US-20040110833-A1 Method of using pyruvate and/or its derivatives for the treatment of cytokine-mediated inflammatory conditions HMGB1, HMGB2, HMGB3 FAAH 589/4885CES1 622/4885CES2 4394/4885
US-20090203851-A1 Process for the Preparation of a Hydroxy-Aromatic Resin: Hydroxy-Aromatic Resin, and Modification Thereof HRH3, HRH1, C9 FAAH 508/4885CES1 2109/4885CES2 973/4885

“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.