SCHEMBL1005048

SCHEMBL1005048

CCCCCNNC=CC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 3/20 0.42
EPHX1 P07099 7/20 0.41
ZDHHC20 Q5W0Z9 1/20 0.39
ZDHHC2 Q9UIJ5 1/20 0.39
ADH1B P00325 1/20 0.38
ADH1C P00326 1/20 0.38
ADH1A P07327 1/20 0.38
ADH4 P08319 1/20 0.38
ADH7 P40394 1/20 0.38
EGFR P00533 1/20 0.37
HDAC3 O15379 1/20 0.37
CASP2 P42575 1/20 0.37
DPP7 Q9UHL4 1/20 0.37

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
SCHEMBL1566984 0.80 EPHX1 (0.50) HCAR2EPHX1ZDHHC20ZDHHC2ADH1B
SCHEMBL2364898 0.80 EPHX1 (0.50) HCAR2EPHX1ZDHHC20ZDHHC2ADH1B
SCHEMBL3278556 0.78 EPHX1 (0.54) HCAR2EPHX1ZDHHC20ZDHHC2ADH1B
SCHEMBL3278822 0.78 EPHX1 (0.54) HCAR2EPHX1ZDHHC20ZDHHC2ADH1B
SCHEMBL3277867 0.78 EPHX1 (0.54) HCAR2EPHX1ZDHHC20ZDHHC2ADH1B
SCHEMBL8931323 0.78 EPHX1 (0.54) HCAR2EPHX1ZDHHC20ZDHHC2ADH1B
Maleic Acid SCHEMBL11249013 0.74 ALDH1A1 (0.56) HCAR2EPHX1ZDHHC20ZDHHC2ADH1B
SCHEMBL3283014 0.74 ADH1B (0.48) HCAR2EPHX1ADH1BADH1CADH1A
Fumaric Acid SCHEMBL11249020 0.74 ALDH1A1 (0.56) HCAR2EPHX1ZDHHC20ZDHHC2ADH1B
Maleic Acid SCHEMBL11695225 0.73 HCAR2 (0.64) HCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2247577-B2 METHOD FOR THE REGIOSELECTIVE SYNTHESIS OF 1-ALKYL-3-HALOALKYL-PYRAZOLE-4-CARBOXYLIC ACID DERIVATIVES BAYER IP GMBH (DE) 2022-04-27 EP disclosed
EP-2247577-B1 METHOD FOR THE REGIOSELECTIVE SYNTHESIS OF 1-ALKYL-3-HALOALKYL-PYRAZOLE-4-CARBOXYLIC ACID DERIVATIVES BAYER IP GMBH (DE) 2015-12-23 EP disclosed
US-8629288-B2 Method for the regioselective synthesis of 1-alky1-3-haloalkyl-pyrazole-4-carboxylic acid derivatives BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-01-14 US disclosed
US-8592605-B2 Method for the regioselective synthesis of 1-Alkyl-3-haloalkyl-pyrazole-4-carboxylic acid derivatives BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-11-26 US disclosed
US-20130197239-A1 Method for the Regioselective Synthesis of 1-Alkyl-3-Haloalkyl-Pyrazole-4-Carboxylic Acid Derivatives BAYER CROPSCIENCE AG (DE) 2013-08-01 US disclosed
US-20110009642-A1 Method for the Regioselective Synthesis of 1-Alkyl-3-haloalkyl-pyrazole-4-carboxylic Acid Derivatives BAYER CROPSCIENCE AG (DE) 2011-01-13 US disclosed
EP-2247577-A2 METHOD FOR THE REGIOSELECTIVE SYNTHESIS OF 1-ALKYL-3-HALOALKYL PYROAZOLE-4-CARBOXYLIC ACID DERIVATIVES BAYER CROPSCIENCE AG (DE) 2010-11-10 EP disclosed
EP-2133341-A1 Method for regioselective synthesis of 1-alkyl-3-haloalkyl-1-pyrazol-4-carbonic acid derivatives Bayer CropScience AG (DE) 2009-12-16 EP disclosed
WO-2009106230-A2 METHOD FOR THE REGIOSELECTIVE SYNTHESIS OF 1-ALKYL-3-HALOALKYL–PYROAZOLE-4-CARBOXYLIC ACID DERIVATIVES BAYER CROPSCIENCE AKTENGESELLSCHAFT (DE) 2009-09-03 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 (2 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-20110009642-A1 Method for the Regioselective Synthesis of 1-Alkyl-3-haloalkyl-pyrazole-4-carboxylic Acid Derivatives ATL3, HCAR3, AADAC HCAR2 12/4885EPHX1 2006/4885ZDHHC20 1328/4885
US-20130197239-A1 Method for the Regioselective Synthesis of 1-Alkyl-3-Haloalkyl-Pyrazole-4-Carboxylic Acid Derivatives ATL3, HCAR3, AADAC HCAR2 12/4885EPHX1 2006/4885ZDHHC20 1328/4885

“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.