SCHEMBL2178036

SCHEMBL2178036

CC(=O)OCOC(=O)C(C)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
LMNA P02545 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TSHR P16473 3/20 0.37
CHRM5 P08912 2/20 0.37
CHRM1 P11229 2/20 0.37
CHRM3 P20309 2/20 0.37
PGR P06401 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
HTR1A P08908 1/20 0.37
CHRNB2 P17787 1/20 0.37
TBXA2R P21731 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA7 P36544 1/20 0.37
CHRNA4 P43681 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CHRNA10 Q9GZZ6 1/20 0.37
CHRNA9 Q9UGM1 1/20 0.37

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
SCHEMBL4596390 0.91 GLO1 (0.39) ALDH1A1LMNAHSD17B10TSHRCHRM5
SCHEMBL9313077 0.88 ALDH1A1 (0.50) ALDH1A1LMNAHSD17B10TSHRCHRM5
SCHEMBL322669 0.85
SCHEMBL9313073 0.81 ALDH1A1 (0.43) ALDH1A1LMNAHSD17B10TSHRCHRM5
Acetic Acid SCHEMBL29011975 0.79 ALDH1A1 (0.53) ALDH1A1LMNAHSD17B10TSHRCHRM5
Acetic Acid SCHEMBL28767597 0.79 ALDH1A1 (0.53) ALDH1A1LMNAHSD17B10TSHRCHRM5
SCHEMBL14409231 0.79 ALDH1A1 (0.42) ALDH1A1LMNAHSD17B10TSHRCHRM5
SCHEMBL9311639 0.79 ALDH1A1 (0.42) ALDH1A1LMNAHSD17B10TSHRCHRM5
SCHEMBL2625617 0.79 TSHR (0.52) ALDH1A1LMNAHSD17B10TSHRCHRM5
SCHEMBL2175591 0.78

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 85 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
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
EP-1496883-A1 METHOD FOR TREATING ILEUS WITH AN ALPHA-KETOALKANOIC ACID, ESTER OR AMIDE Critical Therapeutics, Inc. (US) 2005-01-19 EP 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-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-2003088956-A1 METHOD FOR TREATING ILEUS WITH AN ALPHA -KETOALKANOIC ACID OR - ESTER OR - AMIDE CRITICAL THERAPEUTICS, INC. (US) 2003-10-30 WO 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
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 (2 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 1468/4885LMNA 3716/4885HSD17B10 227/4885
US-20030232884-A1 New pharmaceutical formulation LIPA, CEL, LDHA ALDH1A1 227/4885LMNA 1853/4885HSD17B10 311/4885

“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.