SCHEMBL17080315

SCHEMBL17080315

CS(=O)(=O)c1cc(C(F)(F)F)ccc1C(N)=O

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
HPGD P15428 2/20 0.50
HSD17B10 Q99714 2/20 0.50
CACNA1B Q00975 3/20 0.46
NR1I2 O75469 1/20 0.46
CFTR P13569 1/20 0.45
CES2 O00748 2/20 0.45
ALOX5AP P20292 2/20 0.42
FEN1 P39748 2/20 0.42
USP2 O75604 1/20 0.41
CYP2C19 P33261 1/20 0.41
CASP1 P29466 1/20 0.40
NR1H3 Q13133 3/20 0.39
ABCB11 O95342 1/20 0.39
NR1H2 P55055 2/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL11298443 0.87 KDM4E (0.46) KDM4EALDH1A1HPGDHSD17B10CACNA1B
SCHEMBL8848783 0.87 KDM4E (0.49) KDM4EALDH1A1HPGDHSD17B10CACNA1B
SCHEMBL30889519 0.85 ALDH1A1 (0.60) KDM4EALDH1A1HPGDHSD17B10CACNA1B
SCHEMBL2228176 0.85 ALDH1A1 (0.60) KDM4EALDH1A1HPGDHSD17B10CACNA1B
SCHEMBL30519265 0.84 DDR1 (0.46) KDM4EALDH1A1HPGDHSD17B10CFTR
Hydrochloric Acid SCHEMBL8492943 0.84 ALDH1A1 (0.58) KDM4EALDH1A1HPGDHSD17B10CACNA1B
SCHEMBL31374385 0.84 ALDH1A1 (0.46) KDM4EALDH1A1HPGDHSD17B10CACNA1B
SCHEMBL8182991 0.84 ALDH1A1 (0.46) KDM4EALDH1A1HPGDHSD17B10CACNA1B
Formaldehyde SCHEMBL28289725 0.83 ALDH1A1 (0.57) KDM4EALDH1A1HPGDHSD17B10CACNA1B
SCHEMBL29123913 0.81 CFTR (0.61) KDM4EALDH1A1HPGDHSD17B10CACNA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018162329-A1 HPPD VARIANTS AND METHODS OF USE BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-09-13 WO claimed
CN-108349916-A The thermodynamically stable crystalline modifications of 2- methyl-N- (5- methyl-1s, 3,4- oxadiazole -2- bases) -3- (methyl sulphonyl) -4- (trifluoromethyl) benzamide 拜耳作物科学股份公司 2018-07-31 CN claimed
EP-3117003-A2 HPPD VARIANTS AND METHODS OF USE Bayer Cropscience LP (US) 2017-01-18 EP claimed
WO-2015138394-A2 HPPD VARIANTS AND METHODS OF USE BAYER CROPSCIENCE LP (US) 2015-09-17 WO claimed
CN-119977852-A Synthesis method of 2-methylsulfonyl-4-trifluoromethyl benzoic acid 山东极地医药科技有限公司 2025-05-13 CN disclosed
CN-109705005-B 2-methylsulfonyl-4-trifluoromethylbenzoic acid derivative and preparation method and application thereof 帕潘纳(北京)科技有限公司 2020-12-11 CN disclosed
CN-109705005-A A kind of 2- methylsulfonyl -4- trifluoromethylbenzoic acid derivative and preparation method and application 帕潘纳(北京)科技有限公司 2019-05-03 CN disclosed
CN-107406395-A The salt of N (base of 1,3,4 oxadiazole 2) aryl carboxylic acid amides and its purposes as herbicide 拜耳作物科学股份公司 2017-11-28 CN disclosed
CN-107075488-A Hppd variants and methods of use 拜耳作物科学股份公司 2017-08-18 CN disclosed