SCHEMBL412257

SCHEMBL412257

CSc1c(C(F)(F)F)ccc(C(=O)O)c1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 2/20 0.42
NOTUM Q6P988 4/20 0.39
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
SORT1 Q99523 2/20 0.38
DHODH Q02127 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
HSD17B10 Q99714 2/20 0.37
GRIK1 P39086 1/20 0.36
PKM P14618 1/20 0.36
LIG1 P18858 1/20 0.36
DAO P14920 1/20 0.36
ASPH Q12797 1/20 0.36
USP2 O75604 1/20 0.36
CYP2C19 P33261 1/20 0.36
CES2 O00748 2/20 0.35
HAAO P46952 1/20 0.35

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
SCHEMBL419198 0.89 TAS2R14 (0.35) TAS2R14NOTUMRXRARXRBSORT1
SCHEMBL1230305 0.83 NOTUM (0.39) TAS2R14NOTUMRXRARXRBSORT1
SCHEMBL1636013 0.83 TAS2R14 (0.40) TAS2R14NOTUMRXRARXRBSORT1
SCHEMBL29276544 0.82 KDM4E (0.42) TAS2R14NOTUMRXRARXRBSORT1
SCHEMBL21192829 0.82 CLCN2 (0.42) TAS2R14NOTUMRXRARXRBSORT1
SCHEMBL10053348 0.80 TAS2R14 (0.51) TAS2R14NOTUMRXRARXRBSORT1
SCHEMBL976616 0.80 NOTUM (0.39) TAS2R14NOTUMRXRARXRBSORT1
SCHEMBL31440663 0.80 NOTUM (0.39) TAS2R14NOTUMRXRARXRBSORT1
SCHEMBL1231027 0.80 TDP1 (0.41) TAS2R14NOTUMRXRARXRBKDM4E
SCHEMBL9440024 0.79 CLCN2 (0.45) TAS2R14NOTUMRXRARXRBSORT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108349883-B Method for synthesizing 2-alkyl-4-trifluoromethyl-3-alkylsulfonylbenzoic acid 拜耳作物科学股份公司 2020-10-23 CN disclosed
CN-108349885-B Method for producing 2-alkyl-4-trifluoromethyl-3-alkylsulfonylbenzoic acids by chemoselective thioether oxidation 拜耳作物科学股份公司 2020-05-15 CN disclosed
EP-3368510-B1 METHOD FOR THE PREPARATION OF 2-ALKYL-4-TRIFLUORMETHYL-3-ALKYLSULFONYL BENZOIC ACIDS BAYER CROPSCIENCE AG (DE) 2020-02-19 EP disclosed
US-10435352-B2 Method for synthesizing 2-alkyl-4-trifluoromethyl-3-alkylsulfonylbenzoic acids BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-10-08 US disclosed
EP-3383843-B1 METHOD FOR PRODUCING 2-ALKYL-4-TRIFLUOROMETHYL-3-ALKYL SULFONYL BENZOIC ACIDS BY CHEMOSELECTIVE THIOETHER OXIDATION BAYER CROPSCIENCE AG (DE) 2019-09-25 EP disclosed
US-10252990-B2 Process for the preparation of 2-alkyl-4-trifluoromethyl-3-alkylsulphonylbenzoic acids by chemoselective thioether oxidation BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-04-09 US disclosed
US-20180354898-A1 Process for the preparation of 2-alkyl-4-trifluoromethyl-3-alkylsulphonylbenzoic acids by chemoselective thioether oxidation BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-12-13 US disclosed
US-20180305302-A1 METHOD FOR SYNTHESIZING 2-ALKYL-4-TRIFLUOROMETHYL-3-ALKYLSULFONYLBENZOIC ACIDS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-10-25 US disclosed
EP-3383843-A1 METHOD FOR PRODUCING 2-ALKYL-4-TRIFLUOROMETHYL-3-ALKYL SULFONYL BENZOIC ACIDS BY CHEMOSELECTIVE THIOETHER OXIDATION Bayer CropScience Aktiengesellschaft (DE) 2018-10-10 EP disclosed
EP-3368510-A1 METHOD FOR SYNTHESIZING 2-ALKYL-4-TRIFLUOROMETHYL-3-ALKYLSULFONYLBENZOIC ACIDS Bayer CropScience Aktiengesellschaft (DE) 2018-09-05 EP disclosed
US-8563779-B2 (4-trifluoromethyl-3-thiobenzoyl)cyclohexanediones and use thereof as herbicides BAYER CROPSCIENCE AG (DE) 2013-10-22 US disclosed
EP-2595954-A1 (4-TRIFLUORMETHYL-3-THIOBENZOYL)CYCLOHEXANEDIONES AND USE THEREOF AS HERBICIDES Bayer Intellectual Property GmbH (DE) 2013-05-29 EP disclosed
WO-2012010574-A1 (4-TRIFLUORMETHYL-3-THIOBENZOYL)CYCLOHEXANEDIONES AND USE THEREOF AS HERBICIDES BAYER CROPSCIENCE AG (DE) 2012-01-26 WO disclosed
US-20120021902-A1 (4-TRIFLUOROMETHYL-3-THIOBENZOYL)CYCLOHEXANEDIONES AND USE THEREOF AS HERBICIDES BAYER CROPSCIENCE AG (DE) 2012-01-26 US disclosed
US-7932211-B2 4-(4-trifluoromethyl-3-thiobenzoyl)pyrazoles and their use as herbicides BAYER CROPSCIENCE AG (DE) 2011-04-26 US disclosed
EP-2137160-B1 4-(4-TRIFLUOROMETHYL-3-THIOBENZOYL)PYRAZOLES AND USE THEREOF AS HERBICIDES BAYER CROPSCIENCE AG (DE) 2010-10-27 EP disclosed
EP-2137160-A1 4-(4-TRIFLUOROMETHYL-3-THIOBENZOYL)PYRAZOLES, AND USE THEREOF AS HERBICIDES Bayer CropScience AG (DE) 2009-12-30 EP disclosed
US-20090069184-A1 4-(4-trifluoromethyl-3-thiobenzoyl)pyrazoles and their use as herbicides BAYER CROPSCIENCE AG (DE) 2009-03-12 US disclosed
WO-2008125214-A1 4-(4-TRIFLUOROMETHYL-3-THIOBENZOYL)PYRAZOLES, AND USE THEREOF AS HERBICIDES BAYER CROPSCIENCE AG (DE) 2008-10-23 WO disclosed
EP-1980556-A1 4-(4-trifluor methyl-3-thiobenzoyl) pyrazoles and their application as herbicides Bayer CropScience AG (DE) 2008-10-15 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 (6 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-20180305302-A1 METHOD FOR SYNTHESIZING 2-ALKYL-4-TRIFLUOROMETHYL-3-ALKYLSULFONYLBENZOIC ACIDS ARSA, ABL1, CYP2B6 TAS2R14 4297/4885NOTUM 3066/4885RXRA 1268/4885
US-20180354898-A1 Process for the preparation of 2-alkyl-4-trifluoromethyl-3-alkylsulphonylbenzoic acids by chemoselective thioether oxidation TST, CYP2F1, SULT1A1 TAS2R14 2285/4885NOTUM 2517/4885RXRA 1572/4885
US-20120021902-A1 (4-TRIFLUOROMETHYL-3-THIOBENZOYL)CYCLOHEXANEDIONES AND USE THEREOF AS HERBICIDES CBR3, DDT, CYP4X1 TAS2R14 1358/4885NOTUM 1045/4885RXRA 427/4885
US-20090069184-A1 4-(4-trifluoromethyl-3-thiobenzoyl)pyrazoles and their use as herbicides TH, DDT, CYP4X1 TAS2R14 442/4885NOTUM 1266/4885RXRA 733/4885
US-10435352-B2 Method for synthesizing 2-alkyl-4-trifluoromethyl-3-alkylsulfonylbenzoic acids ARSA, ABL1, CYP2B6 TAS2R14 4297/4885NOTUM 3066/4885RXRA 1268/4885
US-10252990-B2 Process for the preparation of 2-alkyl-4-trifluoromethyl-3-alkylsulphonylbenzoic acids by chemoselective thioether oxidation TST, CYP2F1, SULT1A1 TAS2R14 2285/4885NOTUM 2517/4885RXRA 1572/4885

“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.