SCHEMBL6762809

SCHEMBL6762809

CCOC(=O)C(O)C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
LMNA P02545 1/20 0.46
HSD17B10 Q99714 1/20 0.46
ALOX15 P16050 1/20 0.39
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
SOAT1 P35610 1/20 0.39
HTT P42858 1/20 0.38
TRPA1 O75762 1/20 0.36
HDAC4 P56524 2/20 0.34
HDAC6 Q9UBN7 2/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
PIN1 Q13526 1/20 0.33
POLB P06746 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33

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
SCHEMBL9446851 0.82 HCAR2 (0.36) ALDH1A1LMNAHSD17B10HTTCA1
SCHEMBL1164307 0.78 ALDH1A1 (0.48) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL14715925 0.78 ALDH1A1 (0.43) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL20473345 0.78 ALDH1A1 (0.43) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL4093235 0.78 ALDH1A1 (0.48) ALDH1A1LMNAHSD17B10ALOX15MGAM
Ethyl Acetate SCHEMBL8585320 0.77 ALDH1A1 (0.61) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL789449 0.77 ALDH1A1 (0.38) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL3868205 0.76 ALDH1A1 (0.42) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL8074526 0.76 ALDH1A1 (0.46) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL765474 0.76 ALDH1A1 (0.42) ALDH1A1LMNAHSD17B10ALOX15MGAM

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-5058954-A None JP disclosed
CN-107250097-B Practical method for producing fluorine-containing α -ketocarboxylic acid esters 中央硝子株式会社 2020-08-07 CN disclosed
US-20180050976-A1 Practical Processes for Producing Fluorinated alpha-Ketocarboxylic Esters and Analogues Thereof CENTRAL GLASS COMPANY, LIMITED (JP) 2018-02-22 US disclosed
US-9828379-B2 Pyrrolo-pyrrole carbamate and related organic compounds, pharmaceutical compositions, and medical uses thereof ABIDE THERAPEUTICS, INC. (US) 2017-11-28 US disclosed
US-9828379-B2 Pyrrolo-pyrrole carbamate and related organic compounds, pharmaceutical compositions, and medical uses thereof ABIDE THERAPEUTICS, INC. (US) 2017-11-28 US disclosed
US-9828379-B2 Pyrrolo-pyrrole carbamate and related organic compounds, pharmaceutical compositions, and medical uses thereof ABIDE THERAPEUTICS, INC. (US) 2017-11-28 US disclosed
CN-107250097-A Practical method for producing fluorine-containing alpha-ketocarboxylic acid esters 中央硝子株式会社 2017-10-13 CN disclosed
EP-2098501-B1 METHOD FOR PRODUCING OPTICALLY ACTIVE FLUORINE-CONTAINING CARBONYL-ENE PRODUCT CENTRAL GLASS CO LTD (JP) 2017-08-23 EP disclosed
US-20160138059-A1 Method for Manufacturing Optically Active Fluorolactic Acid Derivative CENTRAL GLASS COMPANY, LIMITED (JP) 2016-05-19 US disclosed
US-20160137649-A1 PYRROLO-PYRROLE CARBAMATE AND RELATED ORGANIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND MEDICAL USES THEREOF ABIDE THERAPEUTICS, INC. 2016-05-19 US disclosed
US-20160137649-A1 PYRROLO-PYRROLE CARBAMATE AND RELATED ORGANIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND MEDICAL USES THEREOF ABIDE THERAPEUTICS, INC. 2016-05-19 US disclosed
US-20160137649-A1 PYRROLO-PYRROLE CARBAMATE AND RELATED ORGANIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND MEDICAL USES THEREOF ABIDE THERAPEUTICS, INC. 2016-05-19 US disclosed
EP-3020818-A1 METHOD FOR MANUFACTURING OPTICALLY ACTIVE FLUOROLACTIC ACID DERIVATIVE Central Glass Company, Limited (JP) 2016-05-18 EP disclosed
EP-3016653-A1 PYRROLO-PYRROLE CARBAMATE AND RELATED ORGANIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND MEDICAL USES THEREOF Abide Therapeutics, Inc. (US) 2016-05-11 EP disclosed
CN-105378094-A Method for manufacturing optically active fluorolactic acid derivative CENTRAL GLASS CO LTD 2016-03-02 CN disclosed
WO-2015003002-A1 PYRROLO-PYRROLE CARBAMATE AND RELATED ORGANIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND MEDICAL USES THEREOF ABIDE THERAPEUTICS, INC. (US) 2015-01-08 WO disclosed
WO-2015003002-A1 PYRROLO-PYRROLE CARBAMATE AND RELATED ORGANIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND MEDICAL USES THEREOF ABIDE THERAPEUTICS, INC. (US) 2015-01-08 WO disclosed
US-6815559-B2 IMPORTANT INTERMEDIATES FOR MEDICINES AND LIQUID CRYSTALS. CENTRAL GLASS COMPANY, LIMITED (JP) 2004-11-09 US disclosed
US-20040049076-A1 Process for producing 3,3,3-trifluoro-2-hydroxypropionic acid or its derivative CENTRAL GLASS COMPANY, LIMITED (JP) 2004-03-11 US disclosed
JP-H0558954-A PRODUCTION OF TRIFLUOROLACTIC ACID DERIVATIVE NIKKO KYODO CO LTD 1993-03-09 JP 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-20040049076-A1 Process for producing 3,3,3-trifluoro-2-hydroxypropionic acid or its derivative ADH1C, HAAO, ADH1A ALDH1A1 96/4885LMNA 3303/4885HSD17B10 30/4885
US-20180050976-A1 Practical Processes for Producing Fluorinated alpha-Ketocarboxylic Esters and Analogues Thereof KHK, GCK, HK1 ALDH1A1 1437/4885LMNA 2778/4885HSD17B10 978/4885
US-20160137649-A1 PYRROLO-PYRROLE CARBAMATE AND RELATED ORGANIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND MEDICAL USES THEREOF FAAH, FAAH2, ABHD6 ALDH1A1 2203/4885LMNA 4637/4885HSD17B10 1905/4885

“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.