SCHEMBL2177866

SCHEMBL2177866

CCOCOC(=O)C(C)=O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.44
TSHR P16473 2/20 0.44
THRB P10828 1/20 0.43
LMNA P02545 1/20 0.42
HSD17B10 Q99714 1/20 0.42
GLO1 Q04760 1/20 0.41
ALOX15 P16050 1/20 0.35
MGAM O43451 1/20 0.35
GAA P10253 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
SOAT1 P35610 1/20 0.35
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
TRPA1 O75762 1/20 0.32
TDP1 Q9NUW8 1/20 0.30
EGLN1 Q9GZT9 1/20 0.30

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
SCHEMBL4675801 0.85 ALDH1A1 (0.44) ALDH1A1TSHRTHRBLMNAHSD17B10
SCHEMBL36959 0.81 THRB (0.67) ALDH1A1TSHRTHRBLMNAHSD17B10
SCHEMBL4596390 0.81 GLO1 (0.39) ALDH1A1TSHRTHRBLMNAHSD17B10
Boric Acid SCHEMBL29245206 0.80 ALDH1A1 (0.39) ALDH1A1TSHRTHRBLMNAHSD17B10
SCHEMBL445412 0.79
Ethyl Pyruvate SCHEMBL1331224 0.78
Ethyl Pyruvate SCHEMBL25538 0.78
Ethyl Pyruvate SCHEMBL28156490 0.78 GLO1 (0.61) ALDH1A1TSHRTHRBLMNAHSD17B10
SCHEMBL4453514 0.78 THRB (0.69) ALDH1A1TSHRTHRBLMNAHSD17B10
SCHEMBL19667000 0.78 THRB (0.62) ALDH1A1TSHRTHRBLMNAHSD17B10

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 103 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-8815946-B2 Inhibition of proliferation and fibrotic response of activated corneal stromal cells University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2014-08-26 US claimed
US-20090239947-A1 Inhibition of proliferation and fibrotic response of activated corneal stromal cells UNIVERSITY OF PITTSBURGH-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2009-09-24 US claimed
EP-1937316-A2 RADIOPROTECTIVE AGENTS University of Pittsburgh of the Commonwealth System of Higher Education (US) 2008-07-02 EP claimed
EP-1635806-B1 METHOD FOR TREATING ALCOHOLIC HEPATITIS UNIV PITTSBURGH (US) 2008-05-28 EP claimed
WO-2007014237-A2 RADIOPROTECTIVE AGENTS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2007-02-01 WO claimed
US-20060223887-A1 Method for treating acute pancreatitis UNIVERSITY OF PITTSBURGH- OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2006-10-05 US claimed
EP-1233767-B1 PYRUVATE ESTER COMPOSITION AND METHOD OF USE FOR RESUSCITATION AFTER EVENTS OF ISCHEMIA AND REPERFUSION XANTHUS LIFE SCIENCES INC (CA) 2006-04-12 EP claimed
EP-1635806-A2 METHOD FOR TREATING ALCOHOLIC HEPATITIS UNIVERSITY OF PITTSBURGH OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2006-03-22 EP claimed
US-20050245609-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) 2005-11-03 US claimed
WO-2005002563-A2 METHOD FOR TREATING ALCOHOLIC HEPATITIS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCTION (US) 2005-01-13 WO claimed
EP-1494659-A1 PHARMACEUTICAL COMPOSITION COMPRISING AN ALPHA-KETOALKANOIC ACID ESTER OR -AMIDE AND LACTIC ACID OR A LACTIC ACID SALT Critical Therapeutics, Inc. (US) 2005-01-12 EP 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
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
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 (4 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-20060223887-A1 Method for treating acute pancreatitis PNLIP, LIPA, AMY2A ALDH1A1 1468/4885TSHR 2399/4885THRB 1470/4885
US-20050245609-A1 Method of using pyruvate and/or its derivatives for the treatment of cytokine-mediated inflammatory conditions IL1B, HMGB2, HMGB1 ALDH1A1 847/4885TSHR 3340/4885THRB 198/4885
US-20030232884-A1 New pharmaceutical formulation LIPA, CEL, LDHA ALDH1A1 227/4885TSHR 3160/4885THRB 1462/4885
US-20040110833-A1 Method of using pyruvate and/or its derivatives for the treatment of cytokine-mediated inflammatory conditions HMGB1, HMGB2, HMGB3 ALDH1A1 865/4885TSHR 3355/4885THRB 749/4885

“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.