SCHEMBL4069713

SCHEMBL4069713

CCOCCC(=O)C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FAAH O00519 11/20 0.52
CES1 P23141 7/20 0.50
CES2 O00748 3/20 0.50
MEN1 O00255 1/20 0.50
CYP1A2 P05177 1/20 0.50
KMT2A Q03164 1/20 0.50
HSD17B10 Q99714 1/20 0.50
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL8167972 0.83 FAAH (0.64) FAAHCES1CES2MEN1CYP1A2
SCHEMBL16140001 0.78 FAAH (0.48) FAAHCES1CES2MEN1CYP1A2
SCHEMBL16789735 0.75 CES2 (0.57) FAAHCES1CES2MEN1CYP1A2
SCHEMBL6266280 0.74 ALDH1A1 (0.46) FAAHCES1CES2MEN1CYP1A2
SCHEMBL17461626 0.74 ALDH1A1 (0.39) FAAHCES1CES2MEN1CYP1A2
SCHEMBL25263210 0.74 ALDH1A1 (0.50) KMT2AHSD17B10ALDH1A1TSHR
SCHEMBL810081 0.74
SCHEMBL9937107 0.73 ALDH1A1 (0.56) FAAHCES1CES2MEN1CYP1A2
SCHEMBL19501018 0.73 FAAH (0.43) FAAHCES1CES2MEN1CYP1A2
SCHEMBL3603910 0.73 FAAH (0.48) FAAHCES1CES2MEN1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3902786-B1 PREPARATION OF SULFONAMIDE HERBICIDE PROCESS INTERMEDIATES CORTEVA AGRISCIENCE LLC (US) 2022-12-14 EP disclosed
EP-2866563-B1 INSECTICIDAL N-SUBSTITUTED SULFILIMINE AND SULFOXIMINE PYRIDINE N-OXIDES DOW AGROSCIENCES LLC (US) 2019-07-31 EP disclosed
EP-2799913-B1 OPTICAL MEMBER SET AND SOLID-STATE IMAGE SENSOR USING SAME FUJIFILM CORP (JP) 2017-02-01 EP disclosed
US-20160368876-A1 METHOD FOR PREPARATION OF 6-TRIFLUOROMETHYLPYRIDINE-3-CARBOXYLIC ACID DERIVATIVES FROM TRIFLUOROACETYLACETIC ACID LONZA LTD. (CH) 2016-12-22 US disclosed
US-9522885-B1 Method for preparation of 6-trifluoromethylpyridine-3-carboxylic acid derivatives from trifluoroacetylacetic acid LONZA LTD (CH) 2016-12-20 US disclosed
EP-2997014-B1 METHOD FOR PREPARATION OF 6-TRIFLUOROMETHYLPYRIDINE-3-CARBOXYLIC ACID DERIVATIVES FROM TRIFLUOROACETYLACETIC ACID LONZA AG (CH) 2016-09-21 EP disclosed
EP-2997014-A1 METHOD FOR PREPARATION OF 6-TRIFLUOROMETHYLPYRIDINE-3-CARBOXYLIC ACID DERIVATIVES FROM TRIFLUOROACETYLACETIC ACID Lonza Ltd (CH) 2016-03-23 EP disclosed
US-8957254-B2 Process for chemical synthesis from an alkenone made from a halogenated precursor SOLVAY SA (BE) 2015-02-17 US disclosed
WO-2015007837-A1 METHOD FOR PREPARATION OF 6-TRIFLUOROMETHYLPYRIDINE-3-CARBOXYLIC ACID DERIVATIVES FROM TRIFLUOROACETYLACETIC ACID LONZA LTD (CH) 2015-01-22 WO disclosed
US-20140051892-A1 Process for chemical synthesis from an alkenone made from a halogenated precursor SOLVAY SA (BE) 2014-02-20 US disclosed
US-7488824-B2 Process for the production of substituted nicotinic acid esters SYNGENTA CROP PROTECTION, INC. (US) 2009-02-10 US disclosed
EP-1601653-B1 PROCESS FOR THE PRODUCTION OF SUBSTITUTED NICOTINIC ACID ESTERS SYNGENTA PARTICIPATIONS AG (CH) 2009-02-04 EP disclosed
US-20060199964-A1 Process for the production of substituted nicotinic acid esters SYNGENTA CROP PROTECTION, INC. 2006-09-07 US disclosed
EP-0290903-A2 Beta-fluoracyl-beta-halogen vinyl alkyl ethers BAYER AG (DE) 1988-11-17 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 (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-20160368876-A1 METHOD FOR PREPARATION OF 6-TRIFLUOROMETHYLPYRIDINE-3-CARBOXYLIC ACID DERIVATIVES FROM TRIFLUOROACETYLACETIC ACID CYP2A6, CYP2B6, HPD FAAH 128/4885CES1 42/4885CES2 53/4885
US-20060199964-A1 Process for the production of substituted nicotinic acid esters CHRM1, CHRM5, CHRNA5 FAAH 331/4885CES1 180/4885CES2 509/4885
US-20140051892-A1 Process for chemical synthesis from an alkenone made from a halogenated precursor ALK, CYP4A11, SQLE FAAH 44/4885CES1 1990/4885CES2 2855/4885

“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.