SCHEMBL1704335

SCHEMBL1704335

O=C(O)CC(F)C(F)(F)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC22A6 Q4U2R8 1/20 0.38
TDP1 Q9NUW8 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
FOLH1 Q04609 2/20 0.34
GABRR1 P24046 2/20 0.32
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.30
GPR84 Q9NQS5 4/20 0.30

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
SCHEMBL30979237 0.82 THRB (0.41) SLC22A6TDP1SMN1; SMN2FOLH1
SCHEMBL16877270 0.80 SLC22A6 (0.43) SLC22A6TDP1SMN1; SMN2FOLH1GABRR1
SCHEMBL29211171 0.79 SLC22A6 (0.41) SLC22A6TDP1SMN1; SMN2FOLH1GABRR1
SCHEMBL7599047 0.78 CYP2D6 (0.33) SLC22A6TDP1SMN1; SMN2FOLH1TSHR
SCHEMBL2180876 0.78 TET2 (0.43)
SCHEMBL7598977 0.78 THRB (0.41) SLC22A6TDP1SMN1; SMN2FOLH1
SCHEMBL28719269 0.75 SLC22A6 (0.38) SLC22A6TDP1SMN1; SMN2FOLH1GABRR1
SCHEMBL1271508 0.75 SLC22A6 (0.38) SLC22A6TDP1SMN1; SMN2FOLH1GABRR1
SCHEMBL7596870 0.74 CYP2D6 (0.31) SLC22A6TSHR
SCHEMBL15402927 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2440518-B1 METHOD FOR MAKING FLUOROALKYL NITRILES BAYER CROPSCIENCE AG (DE) 2014-08-20 EP claimed
EP-2245001-B1 Method for the production of 2-fluoroacyl-3-amino-acrylic acid derivatives BAYER CROPSCIENCE AG (DE) 2013-03-20 EP claimed
US-8288582-B2 Method for the production of 2-fluoroacyl-3-aminoacrylic acid derivatives BAYER CROPSCIENCE AG (DE) 2012-10-16 US claimed
US-8203015-B2 Process for preparing fluoroalkyl nitriles BAYER CROPSCIENCE AG (DE) 2012-06-19 US claimed
EP-2440518-A1 METHOD FOR PRODUCING FLUOROALKYL NITRILES Bayer Cropscience AG (DE) 2012-04-18 EP claimed
WO-2010142377-A1 METHOD FOR PRODUCING FLUOROALKYL NITRILES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2010-12-16 WO claimed
US-20100312002-A1 Process For Preparing Fluoroalkyl Nitriles BAYER CROPSCIENCE AG (DE) 2010-12-09 US claimed
CN-101903333-A The method for preparing 2-fluorine acyl group-3-amino-acrylic acid derivatives BAYER CROPSCIENCE AG 2010-12-01 CN claimed
EP-2245001-A1 METHOD FOR THE PRODUCTION OF 2-FLUOROACYL-3-AMINO-ACRYLIC ACID DERIVATIVES Bayer CropScience AG (DE) 2010-11-03 EP claimed
US-20100274049-A1 Method for the production of 2-fluoroacyl-3-aminoacrylic acid derivatives BAYER CROPSCIENCE AG (DE) 2010-10-28 US claimed
WO-2009083134-A1 METHOD FOR THE PRODUCTION OF 2-FLUOROACYL-3-AMINO-ACRYLIC ACID DERIVATIVES BAYER CROPSCIENCE AG (DE) 2009-07-09 WO claimed
EP-2072497-A1 Method for manufacturing 2-fluoracyl-3-amino-acrylic acid derivatives Bayer CropScience AG (DE) 2009-06-24 EP claimed
EP-2440518-B1 METHOD FOR MAKING FLUOROALKYL NITRILES BAYER CROPSCIENCE AG (DE) 2014-08-20 EP disclosed
CN-101903333-B Method for manufacturing 2-fluoracyl-3-amino-acrylic acid derivatives BAYER CROPSCIENCE AG 2013-11-06 CN disclosed
EP-2245001-B1 Method for the production of 2-fluoroacyl-3-amino-acrylic acid derivatives BAYER CROPSCIENCE AG (DE) 2013-03-20 EP disclosed
US-8288582-B2 Method for the production of 2-fluoroacyl-3-aminoacrylic acid derivatives BAYER CROPSCIENCE AG (DE) 2012-10-16 US disclosed
EP-2245001-A1 METHOD FOR THE PRODUCTION OF 2-FLUOROACYL-3-AMINO-ACRYLIC ACID DERIVATIVES Bayer CropScience AG (DE) 2010-11-03 EP disclosed
US-20100274049-A1 Method for the production of 2-fluoroacyl-3-aminoacrylic acid derivatives BAYER CROPSCIENCE AG (DE) 2010-10-28 US disclosed
WO-2009083134-A1 METHOD FOR THE PRODUCTION OF 2-FLUOROACYL-3-AMINO-ACRYLIC ACID DERIVATIVES BAYER CROPSCIENCE AG (DE) 2009-07-09 WO disclosed
EP-2072497-A1 Method for manufacturing 2-fluoracyl-3-amino-acrylic acid derivatives Bayer CropScience AG (DE) 2009-06-24 EP 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-20100312002-A1 Process For Preparing Fluoroalkyl Nitriles PFAS, NAAA, NISCH SLC22A6 3949/4885TDP1 3105/4885SMN1; SMN2 2726/4885
US-20100274049-A1 Method for the production of 2-fluoroacyl-3-aminoacrylic acid derivatives AADAT, AADAC, ALAD SLC22A6 2605/4885TDP1 2572/4885SMN1; SMN2 4608/4885

“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.