SCHEMBL19566

SCHEMBL19566

CCC(C(=O)O)C(=O)C(F)(F)Cl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.34
SLC1A2 P43004 1/20 0.34
SLC1A1 P43005 1/20 0.34
MAPT P10636 1/20 0.33
AKR1C3 P42330 1/20 0.31
AKR1C2 P52895 1/20 0.31
CA2 P00918 1/20 0.31
MAPK1 P28482 1/20 0.31
CHRM1 P11229 1/20 0.31
AKR1A1 P14550 1/20 0.31
CHRM3 P20309 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
ADRA1A P35348 1/20 0.31
HRH1 P35367 1/20 0.31
DRD3 P35462 1/20 0.31
SLC6A3 Q01959 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL166047 0.81 MAPT (0.35) SLC1A3SLC1A2SLC1A1MAPTCA2
SCHEMBL5858256 0.81 ALDH1A1 (0.36) SLC1A3SLC1A2SLC1A1MAPTCA2
SCHEMBL19255396 0.74 CYP2C19 (0.30)
SCHEMBL4879424 0.73 CA2 (0.39) SLC1A3SLC1A2SLC1A1MAPTCA2
SCHEMBL1771911 0.73 MAPT (0.33) SLC1A3SLC1A2SLC1A1MAPTCA2
SCHEMBL993239 0.71 CHRM1 (0.33) SLC1A3SLC1A2SLC1A1MAPTCA2
SCHEMBL6698477 0.71 TP53 (0.35)
Ethylmalonate SCHEMBL107241 0.71
SCHEMBL16957999 0.70 FAAH (0.32) SLC1A3SLC1A2SLC1A1MAPTCA2
SCHEMBL17433678 0.70 CA2 (0.37) SLC1A3SLC1A2SLC1A1MAPTCA2

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
EP-2595962-B1 PROCESS FOR THE PREPARATION OF ESTERS OF 1-SUBSTITUTED-3-FLUOROALKYL-PYRAZOLE-4-CARBOXYLIC ACIDS SOLVAY (BE) 2018-07-11 EP disclosed
EP-2809653-B1 METHOD FOR PRODUCING 3,5-BIS(FLUORALKYL)-PYRAZOL-4-CARBOXYLIC ACID DERIVATIVES AND 3,5-BIS(FLUORALKYL)-PYRAZOLES BAYER CROPSCIENCE AG (DE) 2017-08-16 EP disclosed
EP-2671874-B1 Preparation of esters of 1-substituted-3-fluoroalkyl-pyrazole-4-carboxylic acids SOLVAY (BE) 2016-01-13 EP disclosed
US-8981116-B2 Process for the preparation of esters of 1-substituted-3-fluoroalkyl-pyrazole-4-carboxylic acids SOLVAY SA (BE) 2015-03-17 US disclosed
EP-2809653-A1 METHOD FOR PRODUCING 3,5-BIS(FLUOROALKYL)-PYRAZOL-4-CARBOXYLIC ACID DERIVATIVES AND 3,5-BIS(FLUOROALKYL)-PYRAZOLES Bayer CropScience AG (DE) 2014-12-10 EP disclosed
EP-2671874-A1 Preparation of esters of 1-substituted-3-fluoroalkyl-pyrazole-4-carboxylic acids SOLVAY SA (BE) 2013-12-11 EP disclosed
WO-2013113829-A1 METHOD FOR PRODUCING 3,5-BIS(FLUOROALKYL)-PYRAZOL-4-CARBOXYLIC ACID DERIVATIVES AND 3,5-BIS(FLUOROALKYL)-PYRAZOLES BAYER CROPSCIENCE AG (DE) 2013-08-08 WO disclosed
EP-2623496-A1 Method for producing 3,5-bis(fluoralkyl)-pyrazol-4-carboxylic acid derivatives and 3,5-bis(fluoralkyl)-pyrazoles Bayer CropScience AG (DE) 2013-08-07 EP disclosed
EP-2595962-A1 PROCESS FOR THE PREPARATION OF ESTERS OF 1-SUBSTITUTED-3-FLUOROALKYL-PYRAZOLE-4-CARBOXYLIC ACIDS SOLVAY SA (BE) 2013-05-29 EP disclosed
US-20130123510-A1 Process for the preparation of esters of 1-substituted-3-fluoroalkyl-pyrazole-4-carboxylic acids SOLVAY SA (BE) 2013-05-16 US disclosed
WO-2012025469-A1 IMPROVED PROCESS FOR THE PREPARATION OF ESTERS OF 1-H-PYRAZOLE-4-CARBOXYLIC ACIDS SOLVAY SA (BE) 2012-03-01 WO disclosed
WO-2012010692-A1 PROCESS FOR THE PREPARATION OF ESTERS OF 1-SUBSTITUTED-3-FLUOROALKYL-PYRAZOLE-4-CARBOXYLIC ACIDS SOLVAY SA (BE) 2012-01-26 WO disclosed
EP-2398759-A2 COMPOSITIONS OF ESTERS OF FLUOROSUBSTITUTED ALCANOIC ACIDS Solvay Fluor GmbH (DE) 2011-12-28 EP disclosed
US-20110297883-A1 Compositions of esters of fluorosubstituted alcanoic acids SOLVAY FLUOR GMBH (DE) 2011-12-08 US disclosed
WO-2010094746-A2 COMPOSITIONS OF ESTERS OF FLUOROSUBSTITUTED ALCANOIC ACIDS SOLVAY FLUOR GMBH (DE) 2010-08-26 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 (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-20130123510-A1 Process for the preparation of esters of 1-substituted-3-fluoroalkyl-pyrazole-4-carboxylic acids CYP2F1, KHK, CYP4F3 SLC1A3 2569/4885SLC1A2 2981/4885SLC1A1 2774/4885

“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.