SCHEMBL5593767

SCHEMBL5593767

CCOC=CC(=O)CC(=O)OCC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.54
MGAM O43451 1/20 0.54
SI P14410 1/20 0.54
MGAM2 Q2M2H8 1/20 0.54
ALDH1A1 P00352 4/20 0.40
TRPA1 O75762 1/20 0.40
POLB P06746 1/20 0.37
POLA1 P09884 1/20 0.37
CASP1 P29466 1/20 0.37
HCAR2 Q8TDS4 1/20 0.36
CYP1A2 P05177 1/20 0.35
GSK3A P49840 1/20 0.35
GSK3B P49841 1/20 0.35
LMNA P02545 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ALOX15 P16050 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SOAT1 P35610 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
SCHEMBL15167421 1.00 GAA (0.54) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL9674490 0.79 LMNA (0.38) GAAMGAMSIMGAM2POLB
SCHEMBL7238928 0.79 CASP1 (0.39) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL4534469 0.79 CASP1 (0.39) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL16867605 0.79 GAA (0.58) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL4534473 0.79 CASP1 (0.39) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL11378100 0.79 GAA (0.58) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL7238935 0.79 CASP1 (0.39) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL9672488 0.78 ALDH1A1 (0.49) GAAALDH1A1HCAR2GSK3BLMNA
SCHEMBL4464742 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007086076-A2 AN IMPROVED PROCESS FOR PREPARATION OF LEFLUNOMIDE UNICHEM LABORATORIES LIMITED (IN) 2007-08-02 WO claimed
CN-116396221-B Preparation method of 1- (3-hydroxy-3-methyl-2-butyl) -5-methyl-1H-pyrazole-4-carboxylic acid 无锡科华生物科技有限公司 2024-09-10 CN disclosed
CN-118206533-A N-pyridazine pyrazole amide compounds 湖南化工研究院有限公司 2024-06-18 CN disclosed
CN-116396221-A Preparation method of 1- (3-hydroxy-3-methyl-2-butyl) -5-methyl-1H-pyrazole-4-carboxylic acid 无锡科华生物科技有限公司 2023-07-07 CN disclosed
CN-105899508-B Novel dihydroquinolizinones for the treatment and prophylaxis of hepatitis b virus infection 豪夫迈·罗氏有限公司 2017-07-04 CN disclosed
US-9150555-B2 Amide derivative and use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2015-10-06 US disclosed
US-20130211075-A1 AMIDE DERIVATIVE AND USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-08-15 US disclosed
WO-2007086076-A2 AN IMPROVED PROCESS FOR PREPARATION OF LEFLUNOMIDE UNICHEM LABORATORIES LIMITED (IN) 2007-08-02 WO disclosed
EP-1257270-B1 A METHOD FOR SYNTHESIZING LEFLUNOMIDE TEVA PHARMA (IL) 2005-04-13 EP disclosed
EP-1473035-A1 Leflunomide of high purity TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2004-11-03 EP disclosed
US-4741764-A SUPPRESSION OF NITRIFICATION OF AMMONIUM NITROGEN IN THE SOIL THE DOW CHEMICAL COMPANY (US) 1988-05-03 US disclosed
US-4740233-A Substituted 1,2,4-triazolo[1,5-a]-pyrimidine-2-sulfonamides and compositions and methods of controlling undesired vegetation and suppressing the nitrification of ammonium nitrogen in soil THE DOW CHEMICAL COMPANY (US) 1988-04-26 US disclosed
EP-0259972-A2 Heterocyclic propene amide derivatives, processes for their preparation and their use as pharmaceuticals LILLY INDUSTRIES LIMITED (GB) 1988-03-16 EP disclosed
EP-0257882-A1 N-Phenyl butenamides with pharmaceutical properties LILLY INDUSTRIES LIMITED (GB) 1988-03-02 EP disclosed
US-4657919-A CARDIOVASCULAR DISORDERS E. I. DU PONT DE NEMOURS & CO. (US) 1987-04-14 US disclosed
US-4555517-A Pyridone esters as inotropic agents AMERICAN HOSPITAL SUPPLY CORPORATION (US) 1985-11-26 US disclosed
EP-0142152-A2 Novel substituted 1,2,4-triazolo- [1,5-a] pyrimidine-2-sulfonamides and compositions and methods of controlling undesired vegetation and suppressing the nitrification of ammonium nitrogen in soil THE DOW CHEMICAL COMPANY (US) 1985-05-22 EP disclosed
US-4468353-A Method of preparing alkoxymethylene compounds DYNAMIT NOBEL AG (DE) 1984-08-28 US disclosed
US-4277418-A Method of preparing alkoxymethylene compounds DYNAMIT NOBEL AKTIENGESELLSCHAFT (DE) 1981-07-07 US disclosed
US-3933823-A CNS DEPRESSANTS E. R. SQUIBB & SONS, INC. (US) 1976-01-20 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-20130211075-A1 AMIDE DERIVATIVE AND USE THEREOF IL2, IL4, IL5 GAA 1466/4885MGAM 3208/4885SI 722/4885

“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.