SCHEMBL4371685

SCHEMBL4371685

FC(F)(F)c1ccc(Cl)c(Cl)n1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NT5E P21589 2/20 0.39
TRPV4 Q9HBA0 1/20 0.37
MAT2A P31153 3/20 0.35
NOTUM Q6P988 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PDE2A O00408 2/20 0.34
PDE10A Q9Y233 2/20 0.34
SMO Q99835 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
CASP3 P42574 1/20 0.32
P2RX7 Q99572 1/20 0.32

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
SCHEMBL15283554 0.84 CYP3A4 (0.31) NT5E
SCHEMBL15284060 0.79 NT5E (0.38) NT5ETRPV4MAT2ANOTUMKDM4E
SCHEMBL23162813 0.79 KDM4E (0.37) NT5ETRPV4MAT2AKDM4EALDH1A1
SCHEMBL29760329 0.79 KDM4E (0.37) NT5ETRPV4MAT2AKDM4EALDH1A1
SCHEMBL2634744 0.79 NOTUM (0.42) NT5ETRPV4MAT2ANOTUMKDM4E
SCHEMBL3153908 0.78 TSHR (0.48)
SCHEMBL537996 0.77 P2RX7 (0.37) NT5ETRPV4MAT2ANOTUMKDM4E
SCHEMBL1451444 0.77 NOTUM (0.41) NT5ETRPV4MAT2ANOTUMKDM4E
SCHEMBL16346468 0.77 NT5E (0.41) NT5ETRPV4MAT2AKDM4EALDH1A1
SCHEMBL2269503 0.77 PTGS2 (0.37) NT5ETRPV4KDM4EALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2831044-B1 METHODS FOR PREPARING 3-SUBSTITUTED-6-TRIFLUOROMETHYL PYRIDINES AND METHODS FOR USING 6-TRICHLOROMETHYL HALOGENATED PYRIDINES DOW AGROSCIENCES LLC (US) 2020-11-11 EP claimed
CN-104321310-B Process for preparing 3-substituted-6-trifluoromethylpyridines and process for using 6-trichloromethyl halopyridines 陶氏益农公司 2017-02-22 CN claimed
EP-2831044-A1 METHODS FOR PREPARING 3-SUBSTITUTED-6-TRIFLUOROMETHYL PYRIDINES AND METHODS FOR USING 6-TRICHLOROMETHYL HALOGENATED PYRIDINES Dow AgroSciences LLC (US) 2015-02-04 EP claimed
CN-104321310-A Process for preparing 3-substituted-6-trifluoromethylpyridines and process for using 6-trichloromethyl halopyridines DOW AGROSCIENCES LLC 2015-01-28 CN claimed
US-8785650-B2 Methods for preparing 3-substituted-6-trifluoromethyl pyridines and methods for using 6-trichloromethyl halogenated pyridines DOW AGROSCIENCES, LLC. (US) 2014-07-22 US claimed
US-20130261310-A1 METHODS FOR PREPARING 3-SUBSTITUTED-6-TRIFLUOROMETHYL PYRIDINES AND METHODS FOR USING 6-TRICHLOROMETHYL HALOGENATED PYRIDINES CORTEVA AGRISCIENCE LLC 2013-10-03 US claimed
WO-2013148338-A1 METHODS FOR PREPARING 3-SUBSTITUTED-6-TRIFLUOROMETHYL PYRIDINES AND METHODS FOR USING 6-TRICHLOROMETHYL HALOGENATED PYRIDINES DOW AGROSCIENCES LLC (US) 2013-10-03 WO claimed
JP-58206563-A None JP disclosed
CN-107889486-B Pyridin-2-ylpyridin/compounds and methods of use thereof 日本曹达株式会社 2021-07-09 CN disclosed
EP-2831044-B1 METHODS FOR PREPARING 3-SUBSTITUTED-6-TRIFLUOROMETHYL PYRIDINES AND METHODS FOR USING 6-TRICHLOROMETHYL HALOGENATED PYRIDINES DOW AGROSCIENCES LLC (US) 2020-11-11 EP disclosed
EP-2831044-B1 METHODS FOR PREPARING 3-SUBSTITUTED-6-TRIFLUOROMETHYL PYRIDINES AND METHODS FOR USING 6-TRICHLOROMETHYL HALOGENATED PYRIDINES DOW AGROSCIENCES LLC (US) 2020-11-11 EP disclosed
US-10618882-B2 Pyridine-2-yl pyridinium compound and method of using same NIPPON SODA CO., LTD. (JP) 2020-04-14 US disclosed
EP-3330253-B1 PYRIDINE-2-YL-PYRIDINIUM COMPOUND AND METHOD OF USING SAME NIPPON SODA CO (JP) 2019-09-25 EP disclosed
US-20130261310-A1 METHODS FOR PREPARING 3-SUBSTITUTED-6-TRIFLUOROMETHYL PYRIDINES AND METHODS FOR USING 6-TRICHLOROMETHYL HALOGENATED PYRIDINES CORTEVA AGRISCIENCE LLC 2013-10-03 US disclosed
US-20130261310-A1 METHODS FOR PREPARING 3-SUBSTITUTED-6-TRIFLUOROMETHYL PYRIDINES AND METHODS FOR USING 6-TRICHLOROMETHYL HALOGENATED PYRIDINES CORTEVA AGRISCIENCE LLC 2013-10-03 US disclosed
WO-2013148338-A1 METHODS FOR PREPARING 3-SUBSTITUTED-6-TRIFLUOROMETHYL PYRIDINES AND METHODS FOR USING 6-TRICHLOROMETHYL HALOGENATED PYRIDINES DOW AGROSCIENCES LLC (US) 2013-10-03 WO disclosed
WO-2013148338-A1 METHODS FOR PREPARING 3-SUBSTITUTED-6-TRIFLUOROMETHYL PYRIDINES AND METHODS FOR USING 6-TRICHLOROMETHYL HALOGENATED PYRIDINES DOW AGROSCIENCES LLC (US) 2013-10-03 WO disclosed
WO-2009117421-A2 HETEROCYCLIC MODULATORS OF GPR119 FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2009-09-24 WO disclosed
WO-2009117421-A2 HETEROCYCLIC MODULATORS OF GPR119 FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2009-09-24 WO disclosed
JP-S58206563-A PREPARATION OF BETA-CHLORO-ALPHA- OR BETA-CHLORO-GAMMA- TRIFLUOROMETHYLPYRIDINE COMPOUND ISHIHARA SANGYO KAISHA LTD 1983-12-01 JP 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-20130261310-A1 METHODS FOR PREPARING 3-SUBSTITUTED-6-TRIFLUOROMETHYL PYRIDINES AND METHODS FOR USING 6-TRICHLOROMETHYL HALOGENATED PYRIDINES CYP4F3, CBR3, PRDX6 NT5E 967/4885TRPV4 4466/4885MAT2A 2711/4885
US-10618882-B2 Pyridine-2-yl pyridinium compound and method of using same PNPO, PDXK, ABCB7 NT5E 2802/4885TRPV4 2108/4885MAT2A 3678/4885

“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.