SCHEMBL21192829

SCHEMBL21192829

CSc1c(C(F)(F)F)ccc(C(=O)O)c1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLCN2 P51788 1/20 0.42
NOTUM Q6P988 3/20 0.41
GRIK1 P39086 1/20 0.38
TSHR P16473 1/20 0.37
PDK1 Q15118 1/20 0.37
PDK2 Q15119 1/20 0.37
PDK3 Q15120 1/20 0.37
PDK4 Q16654 1/20 0.37
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 0.36
TAS2R14 Q9NYV8 1/20 0.35
PKM P14618 1/20 0.35
LIG1 P18858 1/20 0.35
DAO P14920 1/20 0.35
ASPH Q12797 1/20 0.35
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
USP2 O75604 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
SCHEMBL9440024 0.87 CLCN2 (0.45) CLCN2NOTUMGRIK1PDK1PDK2
SCHEMBL1230305 0.82 NOTUM (0.39) CLCN2NOTUMKDM4EALDH1A1HPGD
SCHEMBL412257 0.82 TAS2R14 (0.42) NOTUMGRIK1KDM4EALDH1A1HPGD
SCHEMBL29276544 0.81 KDM4E (0.42) CLCN2NOTUMKDM4EALDH1A1HPGD
SCHEMBL31440663 0.79 NOTUM (0.39) CLCN2NOTUMGRIK1KDM4EALDH1A1
SCHEMBL976616 0.79 NOTUM (0.39) CLCN2NOTUMGRIK1KDM4EALDH1A1
SCHEMBL23361460 0.78 KMO (0.40) TSHRPDK1PDK2PDK3PDK4
SCHEMBL1231027 0.78 TDP1 (0.41) NOTUMKDM4EALDH1A1HPGDHSD17B10
SCHEMBL20711420 0.78 TAS2R14 (0.48) CLCN2NOTUMGRIK1TSHRPDK1
SCHEMBL23361471 0.78 ALDH1A1 (0.42) KDM4EALDH1A1HPGDHSD17B10RXRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118324713-A Benzothiazole compound 上海泰初化工技术有限公司 2024-07-12 CN disclosed
CN-117616016-A Chiral 3-sulfinyl benzoic acid 拜耳公司 2024-02-27 CN disclosed
CN-109790109-B Process for preparing 3-alkylthio-2-chloro-N- (1-alkyl-1H-tetrazol-5-yl) -4-trifluoromethylbenzamides 拜耳作物科学股份公司 2021-10-22 CN disclosed
US-10457651-B2 Method for producing 3-alkylsulfanyl-2-chloro-N-(1-alkyl-1H-tetrazol-5-yl)-4-trifluoromethyl-benzamides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-10-29 US disclosed
EP-3529233-A1 METHOD FOR PRODUCING 3-ALKYLSULFANYL-2-CHLORO-N-(1-ALKYL-1H-TETRAZOL-5-YL)-4-TRIFLUOROMETHYL-BENZAMIDES Bayer CropScience Aktiengesellschaft (DE) 2019-08-28 EP disclosed
US-20190233382-A1 METHOD FOR PRODUCING 3-ALKYLSULFANYL-2-CHLORO-N-(1-ALKYL-1H-TETRAZOL-5-YL)-4-TRIFLUOROMETHYL-BENZAMIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-08-01 US disclosed
CN-109790109-A The method for preparing the chloro- N- of 3- alkyl sulfenyl -2- (1- alkyl -1H-TETRAZOLE -5- base) -4- trifluoromethyl benzamide 拜耳作物科学股份公司 2019-05-21 CN 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-10457651-B2 Method for producing 3-alkylsulfanyl-2-chloro-N-(1-alkyl-1H-tetrazol-5-yl)-4-trifluoromethyl-benzamides CBR3, CBR1, CPS1 CLCN2 701/4885NOTUM 3140/4885GRIK1 660/4885
US-20190233382-A1 METHOD FOR PRODUCING 3-ALKYLSULFANYL-2-CHLORO-N-(1-ALKYL-1H-TETRAZOL-5-YL)-4-TRIFLUOROMETHYL-BENZAMIDES ABL1, CBR3, CTPS2 CLCN2 437/4885NOTUM 1967/4885GRIK1 611/4885

“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.