SCHEMBL3853357

SCHEMBL3853357

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
LMNA P02545 1/20 0.43
HSD17B10 Q99714 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
GLO1 Q04760 1/20 0.43
ALOX15 P16050 1/20 0.42
MGAM O43451 1/20 0.42
GAA P10253 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
SOAT1 P35610 1/20 0.42
TSHR P16473 1/20 0.41
EGLN1 Q9GZT9 1/20 0.40
MAPT P10636 2/20 0.39
TRPA1 O75762 1/20 0.39
CYP2D6 P10635 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP4F2 P78329 1/20 0.36

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
SCHEMBL16125671 0.83 ALDH1A1 (0.47) ALDH1A1LMNAHSD17B10NPSR1GLO1
SCHEMBL20691515 0.82 ALDH1A1 (0.43) ALDH1A1LMNAHSD17B10NPSR1GLO1
SCHEMBL10448690 0.80 ALDH1A1 (0.42) ALDH1A1LMNAHSD17B10NPSR1GLO1
SCHEMBL2133814 0.80 ALDH1A1 (0.42) ALDH1A1LMNAHSD17B10NPSR1GLO1
SCHEMBL20691539 0.80 ALDH1A1 (0.42) ALDH1A1LMNAHSD17B10NPSR1GLO1
SCHEMBL9852685 0.79 PRKCA (0.38)
SCHEMBL28438273 0.78 CYP4F2 (0.41) ALDH1A1LMNAHSD17B10NPSR1GLO1
SCHEMBL11768714 0.78 CYP4F2 (0.41) ALDH1A1LMNAHSD17B10NPSR1GLO1
SCHEMBL11201754 0.77 ALDH1A1 (0.45) ALDH1A1LMNAHSD17B10NPSR1GLO1
SCHEMBL27486109 0.77 CYP4F2 (0.44) ALDH1A1LMNAHSD17B10NPSR1GLO1

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-105517574-B The combination product of hepatitis C virus inhibitors 百时美施贵宝公司 2019-01-18 CN disclosed
CN-105517574-A Combinations of hepatitis c virus inhibitors BRISTOL MYERS SQUIBB CO 2016-04-20 CN disclosed
EP-2889289-A1 Pyridazine-dione N-substituted glycine derivatives as HIF hydroxylase inhibitors GlaxoSmithKline LLC (US) 2015-07-01 EP disclosed
CN-104302290-A Hepatitis c virus inhibitors BRISTOL MYERS SQUIBB CO 2015-01-21 CN disclosed
US-RE44613-E1 N-substituted glycine derivatives: hydroxylase inhibitors GLAXOSMITHKLINE LLC (US) 2013-11-26 US disclosed
CN-101626685-B N-substituted glycine derivatives: hydroxylase inhibitors SMITHKLINE BEECHAM CORP 2013-03-13 CN disclosed
CN-101626685-A The glycine derivative that N-replaces: hydroxylase inhibitors SMITHKLINE BEECHAM CORP 2010-01-13 CN disclosed
EP-2124565-A2 N-SUBSTITUTED GLYCINE DERIVATIVES: HYDROXYLASE INHIBITORS Smithkline Beecham Corporation (US) 2009-12-02 EP disclosed
US-7608621-B2 Such as n-{[2-[(4-bromo-2-fluorophenyl)methyl]-5-hydroxy-6-(1-methylethyl)-3-oxo-2,3-dihydro-4-pyridazinyl]carbonyl}glycine; anemia; increasing erythropoietin production SMITHKLINE BEECHAM, CORP. (US) 2009-10-27 US disclosed
WO-2009032179-A1 PHOSPHADIAZINE HCV POLYMERASE INHIBITORS III AND VI IDENIX PHARMACEUTICALS, INC. (US) 2009-03-12 WO disclosed
US-7109004-B2 Process for reducing an alpha-keto ester MERCK & CO., INC. (US) 2006-09-19 US disclosed
US-20040101937-A1 Process for reducing an alpha-keto ester MERCK & CO., INC. 2004-05-27 US disclosed
US-20040087569-A1 N-heterocyclic bicyclic lactone compounds NELSON TODD D (US) 2004-05-06 US disclosed
US-6348617-B1 REACTING PYRUVIC ACID COMPOUND IN WATER WITH AMMONIUM OR ALKALI METAL BISULFITE TO GIVE AQUEOUS SOLUTION OF BISULFITE ADDUCT, ISOLATING BY PHASE SEPARATION, OPTIONALLY USING HYDROPHOBIC SOLVENT, CONTACTING WITH ACID TO DECOMPOSE ADDUCT SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-02-19 US disclosed
US-6348620-B1 FORMING DESIRED HYDROGENATED DERIVATIVES WITH GOOD TO VERY GOOD YIELDS AND EXCESSES OF ENANTIOMERS DEGUSSA-HULS AG (DE) 2002-02-19 US disclosed
EP-0937703-A1 METHOD FOR PURIFYING PYRUVIC ACID COMPOUNDS SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1999-08-25 EP disclosed
US-5710322-A Optically active iminocarboxylic acid derivatives HOFFMANN-LA ROCHE INC. (US) 1998-01-20 US disclosed
EP-0097000-A2 Amine derivatives Beecham Wuelfing GmbH & Co KG (DE) 1983-12-28 EP disclosed
US-4411912-A Insecticidal isovaleric acid esters ZOECON CORPORATION (US) 1983-10-25 US disclosed
US-4243819-A Substituted amino acids ZOECON CORPORATION (US) 1981-01-06 US 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 (1 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-20040087569-A1 N-heterocyclic bicyclic lactone compounds VIP, NGLY1, NPPA ALDH1A1 2305/4885LMNA 988/4885HSD17B10 138/4885

“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.