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SCHEMBL1635205

SCHEMBL1635205

Cc1c(C(=O)O)ccc(C(F)(F)F)c1S(C)(=O)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TAS2R14 Q9NYV8 2/20 0.41
▸ ALDH1A1 P00352 4/20 0.39
▸ NOTUM Q6P988 3/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ RXRA P19793 1/20 0.38
▸ RXRB P28702 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ ALOX15 P16050 1/20 0.37
▸ DHODH Q02127 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ LMNA P02545 2/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ KIF11 P52732 1/20 0.36
▸ DAO P14920 1/20 0.35
▸ ASPH Q12797 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ CYP2C19 P33261 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
SCHEMBL21416407 0.87 KIF11 (0.36) TAS2R14KMT2AKIF11
SCHEMBL16240603 0.83 CFTR (0.42) ALDH1A1NOTUMKDM4EHSD17B10KMT2A
SCHEMBL977553 0.81 ALOX15 (0.40) TAS2R14ALDH1A1NOTUMKDM4EHPGD
SCHEMBL27286641 0.79 ALDH1A1 (0.45) TAS2R14ALDH1A1NOTUMKDM4EHPGD
SCHEMBL10053348 0.79 TAS2R14 (0.51) TAS2R14ALDH1A1NOTUMKDM4EHPGD
SCHEMBL16589382 0.78 KIF11 (0.40) ALDH1A1KDM4EMEN1KMT2AMAPK1
SCHEMBL1495431 0.78 ALDH1A1 (0.41) ALDH1A1NOTUMKDM4EHPGDHSD17B10
SCHEMBL978102 0.77 ALDH1A1 (0.38) TAS2R14ALDH1A1NOTUMKDM4EHPGD
SCHEMBL28488432 0.77 ALOX15 (0.37) TAS2R14ALDH1A1NOTUMKDM4EHPGD
SCHEMBL5639747 0.76 ALOX15 (0.41) ALDH1A1KDM4EHPGDHSD17B10MEN1

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 32 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-10336716-B2 Thermodynamically stable crystal modification of 2-methyl-N-(5-methyl-1, 3, 4-oxadiazol-2-yl)-3-(methylsulfonyl)-4-(trifluoromethyl)benzamide BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-07-02 — — US 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-10189800-B2 Method for preparing N-(1,3,4-oxadiazol-2-yl)arylcarboxamides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-01-29 — — 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-20180319754-A1 THERMODYNAMICALLY STABLE CRYSTAL MODIFICATION OF 2-METHYL-N-(5-METHYL-1, 3, 4-OXADIAZOL-2-YL)-3-(METHYLSULFONYL)-4-(TRIFLUOROMETHYL)BENZAMIDE BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-11-08 — — US disclosed
US-20150307462-A1 N-(ISOXAZOL-3-YL)-ARYL-CARBOXYLIC ACID AMIDES AND USE THEREOF AS HERBICIDES BAYER CROPSCIENCE AG (DE) 2015-10-29 — — US disclosed
EP-2928874-A1 N-(ISOXAZOL-3-YL)-ARYL-CARBOXYLIC ACID AMIDES AND USE THEREOF AS HERBICIDES Bayer CropScience AG (DE) 2015-10-14 — — EP disclosed
WO-2014086746-A1 N-(ISOXAZOL-3-YL)-ARYL-CARBOXYLIC ACID AMIDES AND USE THEREOF AS HERBICIDES BAYER CROPSCIENCE AG (DE) 2014-06-12 — — WO 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
CN-101679284-A 4-(4-trifluoromethyl-3-thiobenzoyl)pyrazoles, and use thereof as herbicides BAYER CROPSCIENCE AG 2010-03-24 — — CN 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 (8 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-10189800-B2 Method for preparing N-(1,3,4-oxadiazol-2-yl)arylcarboxamides HDHD5, AADAC, AOC3 TAS2R14 3240/4885ALDH1A1 104/4885NOTUM 1012/4885
US-20180319754-A1 THERMODYNAMICALLY STABLE CRYSTAL MODIFICATION OF 2-METHYL-N-(5-METHYL-1, 3, 4-OXADIAZOL-2-YL)-3-(METHYLSULFONYL)-4-(TRIFLUOROMETHYL)BENZAMIDE AZI2, MBD2, KDM2A TAS2R14 507/4885ALDH1A1 2118/4885NOTUM 1331/4885
US-20180354898-A1 Process for the preparation of 2-alkyl-4-trifluoromethyl-3-alkylsulphonylbenzoic acids by chemoselective thioether oxidation TST, CYP2F1, SULT1A1 TAS2R14 2285/4885ALDH1A1 215/4885NOTUM 2517/4885
US-20150307462-A1 N-(ISOXAZOL-3-YL)-ARYL-CARBOXYLIC ACID AMIDES AND USE THEREOF AS HERBICIDES AGXT, ZYX, AHR TAS2R14 3061/4885ALDH1A1 771/4885NOTUM 702/4885
US-10336716-B2 Thermodynamically stable crystal modification of 2-methyl-N-(5-methyl-1, 3, 4-oxadiazol-2-yl)-3-(methylsulfonyl)-4-(trifluoromethyl)benzamide AZI2, MBD2, KDM2A TAS2R14 507/4885ALDH1A1 2118/4885NOTUM 1331/4885
US-20090069184-A1 4-(4-trifluoromethyl-3-thiobenzoyl)pyrazoles and their use as herbicides TH, DDT, CYP4X1 TAS2R14 442/4885ALDH1A1 680/4885NOTUM 1266/4885
US-10435352-B2 Method for synthesizing 2-alkyl-4-trifluoromethyl-3-alkylsulfonylbenzoic acids ARSA, ABL1, CYP2B6 TAS2R14 4297/4885ALDH1A1 617/4885NOTUM 3066/4885
US-10252990-B2 Process for the preparation of 2-alkyl-4-trifluoromethyl-3-alkylsulphonylbenzoic acids by chemoselective thioether oxidation TST, CYP2F1, SULT1A1 TAS2R14 2285/4885ALDH1A1 215/4885NOTUM 2517/4885

“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.