SCHEMBL965898

SCHEMBL965898

CCOC=C(C(=O)OC)C(=O)C(F)(F)CC

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 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
SCHEMBL8932240 0.86 ALDH1A1 (0.33) NPSR1
SCHEMBL18936274 0.86 ALDH1A1 (0.33) NPSR1
SCHEMBL26005755 0.86 ALDH1A1 (0.33) NPSR1
SCHEMBL18936279 0.83 NPSR1 (0.30) NPSR1
SCHEMBL18936278 0.83 NPSR1 (0.30) NPSR1
SCHEMBL2335326 0.80 NPSR1 (0.35) NPSR1
SCHEMBL13943351 0.74 ALDH1A1 (0.32) NPSR1
SCHEMBL11650327 0.74 GLO1 (0.45) NPSR1
SCHEMBL11650330 0.74 GLO1 (0.45) NPSR1
SCHEMBL18936344 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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2257532-B1 METHOD FOR REGIOSELECTIVE SYNTHESIS OF 1-ALKYL-3-HALOALKYL-1-PYRAZOL-4-CARBONIC ACID DERIVATIVES BAYER CROPSCIENCE AG (DE) 2013-05-29 EP claimed
US-20110028735-A1 Process for the Regioselective Preparation of 1-Alkyl-3-haloalkylpyrazole-4-carboxylic Acid Derivatives BAYER CROPSCIENCE AG (DE) 2011-02-03 US claimed
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 claimed
EP-2257532-A1 PROCESS FOR THE REGIOSELECTIVE SYNTHESIS OF L-ALKYL-3-HALOALKYLPYRAZOLE-4-CARBOXYLIC ACID DERIVATIVES BAYER CROPSCIENCE AG (DE) 2010-12-08 EP claimed
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 claimed
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 claimed
WO-2009112157-A1 PROCESS FOR THE REGIOSELECTIVE SYNTHESIS OF L-ALKYL-3-HALOALKYLPYRAZOLE-4-CARBOXYLIC ACID DERIVATIVES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2009-09-17 WO claimed
EP-2100883-A1 Method for regioselective synthesis of 1-alkyl-3-haloalkyl-1-pyrazol-4-carbonic acid derivatives Bayer CropScience AG (DE) 2009-09-16 EP claimed
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 claimed
EP-2114855-B1 METHOD FOR PRODUCING DIHALO ACETOACETIC ALKYL ESTERS BAYER IP GMBH (DE) 2016-07-27 EP disclosed
EP-2257532-B1 METHOD FOR REGIOSELECTIVE SYNTHESIS OF 1-ALKYL-3-HALOALKYL-1-PYRAZOL-4-CARBONIC ACID DERIVATIVES BAYER CROPSCIENCE AG (DE) 2013-05-29 EP disclosed
US-8044231-B2 Method for producing dihalo acetoacetic alkyl esters BAYER CROPSCIENCE AG (DE) 2011-10-25 US disclosed
US-7939673-B2 Process for preparing 3-dihalomethyl-pyrazole-4-carboxylic acid derivatives BAYER CROPSCIENCE AG (DE) 2011-05-10 US disclosed
US-20110028735-A1 Process for the Regioselective Preparation of 1-Alkyl-3-haloalkylpyrazole-4-carboxylic Acid Derivatives BAYER CROPSCIENCE AG (DE) 2011-02-03 US 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-2009112157-A1 PROCESS FOR THE REGIOSELECTIVE SYNTHESIS OF L-ALKYL-3-HALOALKYLPYRAZOLE-4-CARBOXYLIC ACID DERIVATIVES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2009-09-17 WO disclosed
EP-2100883-A1 Method for regioselective synthesis of 1-alkyl-3-haloalkyl-1-pyrazol-4-carbonic acid derivatives Bayer CropScience AG (DE) 2009-09-16 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
EP-2057126-A2 PROCESS FOR PREPARING 3-DIHALOMETHYLPYRAZOLE-4-CARBOXYLIC ACID DERIVATIVES Bayer CropScience AG (DE) 2009-05-13 EP disclosed
WO-2008022777-A2 PROCESS FOR PREPARING 3-DIHALOMETHYLPYRAZOLE-4-CARBOXYLIC ACID DERIVATIVES BAYER CROPSCIENCE AG (DE) 2008-02-28 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-20110028735-A1 Process for the Regioselective Preparation of 1-Alkyl-3-haloalkylpyrazole-4-carboxylic Acid Derivatives HCAR3, AADAC, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 NPSR1 2679/4885
US-20110009642-A1 Method for the Regioselective Synthesis of 1-Alkyl-3-haloalkyl-pyrazole-4-carboxylic Acid Derivatives ATL3, HCAR3, AADAC NPSR1 2992/4885

“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.