SCHEMBL2551687

SCHEMBL2551687

CCOC(=O)CCC(=O)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.50
MGAM O43451 1/20 0.50
SI P14410 1/20 0.50
MGAM2 Q2M2H8 1/20 0.50
CYP1A2 P05177 1/20 0.50
ALDH1A1 P00352 4/20 0.46
TRPA1 O75762 1/20 0.46
MAPK1 P28482 1/20 0.46
SLC13A3 Q8WWT9 1/20 0.46
EGLN1 Q9GZT9 1/20 0.46
OR51E2 Q9H255 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
ALOX15 P16050 1/20 0.44
LMNA P02545 2/20 0.43
POLB P06746 1/20 0.43
TSHR P16473 1/20 0.43
CYP4F2 P78329 2/20 0.41
CYP4A11 Q02928 2/20 0.41
HSD17B10 Q99714 1/20 0.40
NR1I2 O75469 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
SCHEMBL3020462 0.86 CYP1A2 (0.57) GAAMGAMSIMGAM2CYP1A2
SCHEMBL6449594 0.86 CYP1A2 (0.57) GAAMGAMSIMGAM2CYP1A2
Succinic Acid Diethyl Ester SCHEMBL22780 0.84 GAA (0.67) GAAMGAMSIMGAM2CYP1A2
Succinic Acid Diethyl Ester SCHEMBL27768067 0.84 GAA (0.67) GAAMGAMSIMGAM2CYP1A2
Succinic Acid Diethyl Ester SCHEMBL28197993 0.82 GAA (0.57) GAAMGAMSIMGAM2CYP1A2
SCHEMBL4445883 0.82 DGKA (0.47) ALDH1A1MAPK1SLC13A3EGLN1OR51E2
Succinic Acid Diethyl Ester SCHEMBL4324913 0.82 GAA (0.63) GAAMGAMSIMGAM2CYP1A2
Succinic Acid Diethyl Ester SCHEMBL21815758 0.82 GAA (0.63) GAAMGAMSIMGAM2CYP1A2
Succinic Acid Diethyl Ester SCHEMBL29494609 0.82 GAA (0.63) GAAMGAMSIMGAM2CYP1A2
Succinic Acid Diethyl Ester SCHEMBL27525301 0.82 GAA (0.63) GAAMGAMSIMGAM2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102892434-B Method for preparing hyperpolarized substrates and MRI method BRACCO IMAGING SPA 2014-11-19 CN claimed
CN-102892434-A Method for preparing hyperpolarized substrates and MRI method BRACCO IMAGING SPA 2013-01-23 CN claimed
US-20090048153-A1 COMPOSITION FOR TREATING SULFUR MUSTARD TOXICITY AND METHODS OF USING SAME UNIVERSITY OF MARYLAND, BALTIMORE (US) 2009-02-19 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
US-20050059738-A1 Pyruvate ester composition and method of use for resuscitation after events of ischemia and reperfusion XANTHUS LIFE SCIENCES, INC. (CA) 2005-03-17 US claimed
WO-2025067483-A1 AMIDE COMPOUNDS 中国药科大学 2025-04-03 WO disclosed
EP-2555803-B1 PROCESS FOR PREPARING HYPERPOLARIZED SUBSTRATES AND METHOD FOR MRI BRACCO IMAGING SPA (IT) 2018-09-12 EP disclosed
EP-2766050-B1 PROCESS FOR THE PREPARATION OF HYPERPOLARIZED DERIVATIVES FOR USE IN MRI ANALYSIS BRACCO IMAGING SPA (IT) 2018-09-05 EP disclosed
US-9694090-B2 Process for preparing hyperpolarized substrates and method for MRI BRACCO IMAGING S.P.A. (IT) 2017-07-04 US disclosed
US-9511154-B2 Process for the preparation of hyperpolarized derivatives for use in MRI analysis BRACCO IMAGING S.P.A. (IT) 2016-12-06 US disclosed
CN-102892434-B Method for preparing hyperpolarized substrates and MRI method BRACCO IMAGING SPA 2014-11-19 CN disclosed
US-20140257085-A1 Process For The Preparation Of Hyperpolarized Derivatives For Use In MRI Analysis BRACCO IMAGING S.P.A. (IT) 2014-09-11 US disclosed
US-20120095261-A1 Process for preparation of alpha-ketoglutaric acid TIANJIN TIANCHENG PHARMACEUTICAL CO., LTD.(CHINA) 2012-04-19 US disclosed
WO-2011124672-A1 PROCESS FOR PREPARING HYPERPOLARIZED SUBSTRATES AND METHOD FOR MRI BRACCO IMAGING SPA (IT) 2011-10-13 WO disclosed
US-20090048153-A1 COMPOSITION FOR TREATING SULFUR MUSTARD TOXICITY AND METHODS OF USING SAME UNIVERSITY OF MARYLAND, BALTIMORE (US) 2009-02-19 US disclosed
US-20080254198-A1 Method of Preparing Creatine Ester Salts and Uses Thereof BIO-ENGINEERED SUPPLEMENTS & NUTRITION, INC. (US) 2008-10-16 US disclosed
US-20080103202-A1 METHOD OF PREPARING CREATINE ESTER SALTS AND USES THEREOF. Ferguson, Chris (US) 2008-05-01 US disclosed
WO-2006083381-A9 COMPOSITION FOR TREATING SULFUR MUSTARD TOXICITY AND METHODS OF USING SAME UNIV MARYLAND (US) 2006-11-02 WO disclosed
WO-2006083381-A2 COMPOSITION FOR TREATING SULFUR MUSTARD TOXICITY AND METHODS OF USING SAME UNIVERSITY OF MARYLAND, BALTIMORE (US) 2006-08-10 WO disclosed
EP-0048159-A2 Novel carboxyalkyl peptides and thioethers and ethers of peptides as antihypertensive agents UNIVERSITY OF MIAMI (US) 1982-03-24 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-20090048153-A1 COMPOSITION FOR TREATING SULFUR MUSTARD TOXICITY AND METHODS OF USING SAME TST, SQOR, QSOX1 GAA 4545/4885MGAM 3942/4885SI 1092/4885
US-20080103202-A1 METHOD OF PREPARING CREATINE ESTER SALTS AND USES THEREOF. LIPA, CETP, CKMT1A; CKMT1B GAA 1324/4885MGAM 491/4885SI 278/4885
US-20140257085-A1 Process For The Preparation Of Hyperpolarized Derivatives For Use In MRI Analysis CA4, SLC16A3, SLC16A1 GAA 569/4885MGAM 669/4885SI 172/4885

“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.