SCHEMBL1144907

SCHEMBL1144907

COC(=O)C=CN1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 4/20 0.50
HCAR2 Q8TDS4 2/20 0.50
KEAP1 Q14145 1/20 0.50
ALDH1A1 P00352 5/20 0.45
MAPT P10636 4/20 0.45
USP2 O75604 2/20 0.45
LMNA P02545 2/20 0.45
NPC1 O15118 1/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 2/20 0.39
RECQL P46063 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.35
ALOX12 P18054 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
TYR P14679 1/20 0.33
CA7 P43166 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
SCHEMBL1144905 1.00 NFE2L2 (0.50) NFE2L2HCAR2KEAP1ALDH1A1MAPT
SCHEMBL6772335 0.98 NFE2L2 (0.52) NFE2L2HCAR2KEAP1ALDH1A1MAPT
SCHEMBL6772333 0.98 NFE2L2 (0.52) NFE2L2HCAR2KEAP1ALDH1A1MAPT
SCHEMBL1219859 0.82 RECQL (0.57) NFE2L2HCAR2KEAP1ALDH1A1MAPT
SCHEMBL1219862 0.82 RECQL (0.57) NFE2L2HCAR2KEAP1ALDH1A1MAPT
SCHEMBL7916953 0.82 NFE2L2 (0.44) NFE2L2HCAR2KEAP1ALDH1A1MAPT
SCHEMBL2647676 0.82 NFE2L2 (0.44) NFE2L2HCAR2KEAP1ALDH1A1MAPT
SCHEMBL2647678 0.82 NFE2L2 (0.44) NFE2L2HCAR2KEAP1ALDH1A1MAPT
SCHEMBL1144885 0.78 HCAR2 (0.48) HCAR2ALDH1A1MAPTUSP2LMNA
SCHEMBL1144886 0.78 HCAR2 (0.48) HCAR2ALDH1A1MAPTUSP2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104016920-B A kind of co-production of fluorine-containing methylpyrazole compounds 联化科技股份有限公司 2016-08-24 CN disclosed
EP-2300417-B1 PROCESS FOR PREPARING 2-(AMINOMETHYLIDENE)-4,4-DIFLUORO-3-OXOBUTYRIC ESTERS BASF SE (DE) 2015-07-22 EP disclosed
CN-104016920-A Co-production method of fluorine-containing methylpyrazole compounds LIANHE CHEMICAL TECHNOLOGY SHANGHAI CO LTD 2014-09-03 CN disclosed
CN-102015622-B Process for preparing 2-(aminomethylidene)-4,4-difluoro-3-oxobutyric esters BASF SE 2014-07-16 CN disclosed
US-8592578-B2 Process for preparing 2-(aminomethylidene)-4,4-difluoro-3-oxobutyric esters BASF SE (DE) 2013-11-26 US disclosed
US-8586750-B2 Method for the production of halogen-substituted 2-(aminomethylidene)-3-oxobutyric acid esters BASF SE (DE) 2013-11-19 US disclosed
US-20130041147-A1 Process for preparing 2-(aminomethylidene)-4,4-difluoro-3-oxobutyric esters BASF SE (DE) 2013-02-14 US disclosed
US-8314233-B2 Process for preparing 2-(aminomethylidene)-4,4-difluoro-3-oxobutyric esters BASF SE (DE) 2012-11-20 US disclosed
EP-2297111-B1 METHOD FOR THE PRODUCTION OF HALOGEN-SUBSTITUTED 2-(AMINOMETHYLIDENE)-3- OXOBUTYRIC ACID ESTERS BASF SE (DE) 2012-06-20 EP disclosed
EP-2300417-A1 PROCESS FOR PREPARING 2-(AMINOMETHYLIDENE)-4,4-DIFLUORO-3-OXOBUTYRIC ESTERS BASF SE (DE) 2011-03-30 EP disclosed
EP-2297111-A2 METHOD FOR THE PRODUCTION OF HALOGEN-SUBSTITUTED 2-(AMINOMETHYLIDENE)-3- OXOBUTYRIC ACID ESTERS BASF SE (DE) 2011-03-23 EP disclosed
US-20110046371-A1 PROCESS FOR PREPARING 2-(AMINOMETHYLIDENE)-4,4-DIFLUORO-3-OXOBUTYRIC ESTERS BASF SE (DE) 2011-02-24 US disclosed
US-20110040096-A1 Method for the Production of Halogen-Substituted 2-(aminomethylidene)-3-oxobutyric Acid Esters BASF SE (DE) 2011-02-17 US disclosed
WO-2009133178-A1 PROCESS FOR PREPARING 2-(AMINOMETHYLIDENE)-4,4-DIFLUORO-3-OXOBUTYRIC ESTERS BASF SE (DE) 2009-11-05 WO disclosed
WO-2009133179-A2 METHOD FOR THE PRODUCTION OF HALOGEN-SUBSTITUTED 2-(AMINOMETHYLIDENE)-3- OXOBUTYRIC ACID ESTERS BASF SE (DE) 2009-11-05 WO 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-20130041147-A1 Process for preparing 2-(aminomethylidene)-4,4-difluoro-3-oxobutyric esters FFAR3, CBR3, NMBR NFE2L2 1443/4885HCAR2 65/4885KEAP1 4059/4885
US-20110046371-A1 PROCESS FOR PREPARING 2-(AMINOMETHYLIDENE)-4,4-DIFLUORO-3-OXOBUTYRIC ESTERS FFAR3, CBR3, NMBR NFE2L2 1443/4885HCAR2 65/4885KEAP1 4059/4885
US-20110040096-A1 Method for the Production of Halogen-Substituted 2-(aminomethylidene)-3-oxobutyric Acid Esters AADAC, CBR3, AOC3 NFE2L2 1621/4885HCAR2 151/4885KEAP1 3205/4885

“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.