SCHEMBL168868

SCHEMBL168868

CCNS(=O)(=O)c1cccc(OC(F)F)c1C#N

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 4/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
GLA P06280 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CCR4 P51679 1/20 0.35
ADRB1 P08588 1/20 0.35
MEN1 O00255 1/20 0.34
TSHR P16473 1/20 0.34
KMT2A Q03164 1/20 0.34
TRPV4 Q9HBA0 1/20 0.34
EPAS1 Q99814 4/20 0.34
PTGES2 Q9H7Z7 1/20 0.33

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
SCHEMBL29572421 1.00 SLC22A12 (0.38) SLC22A12KDM4EALDH1A1GAAGLA
SCHEMBL5323794 0.88 SLC22A12 (0.39) SLC22A12CCR4ADRB1TRPV4EPAS1
SCHEMBL168370 0.85 SLC22A12 (0.40) SLC22A12ALDH1A1CCR4EPAS1PTGES2
SCHEMBL29572114 0.85 SLC22A12 (0.40) SLC22A12ALDH1A1CCR4EPAS1PTGES2
SCHEMBL30753930 0.84 ALDH1A1 (0.50) SLC22A12KDM4EALDH1A1GAAGLA
SCHEMBL162306 0.84 ALDH1A1 (0.50) SLC22A12KDM4EALDH1A1GAAGLA
SCHEMBL163798 0.83 KDM4E (0.38) SLC22A12KDM4EALDH1A1GAAGLA
SCHEMBL9901715 0.82 SLC22A12 (0.47) SLC22A12KDM4EALDH1A1GAAGLA
SCHEMBL646910 0.81 TRPV4 (0.47) SLC22A12TRPV4EPAS1PTGES2
SCHEMBL15461580 0.81 EPAS1 (0.45) SLC22A12TRPV4EPAS1PTGES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108658816-B N-aryl amidine substituted trifluoroethyl sulfide derivatives useful as acaricides and insecticides 拜尔农作物科学股份公司 2023-05-02 CN claimed
EP-3010893-B1 ARYLSULFIDE AND ARYLSULFOXIDE DERIVATIVES AS ACARICIDES AND INSECTICIDES BAYER CROPSCIENCE AG (DE) 2019-10-02 EP claimed
EP-3490379-A1 ACTIVE COMPOUND COMBINATIONS AND METHODS TO PROTECT THE PROPAGATION MATERIAL OF PLANTS Bayer CropScience Aktiengesellschaft (DE) 2019-06-05 EP claimed
US-20190159451-A1 ACTIVE COMPOUND COMBINATIONS AND METHODS TO PROTECT THE PROPAGATION MATERIAL OF PLANTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-05-30 US claimed
EP-3395171-A1 N-ARYLAMIDINE-SUBSTITUTED TRIFLUOROETHYLSULFIDE DERIVATIVES AS ACARICIDES AND INSECTICIDES Bayer CropScience Aktiengesellschaft (DE) 2018-10-31 EP claimed
EP-3010889-B1 ARYLSULFIDE AND ARYLSULFOXIDE DERIVATIVES AS ACARICIDES AND INSECTICIDES BAYER CROPSCIENCE AG (DE) 2018-10-03 EP claimed
EP-2793578-B1 N-ARYLAMIDINE-SUBSTITUTED TRIFLUOROETHYLSULFIDE DERIVATIVES AS ACARICIDES AND INSECTICIDES BAYER CROPSCIENCE AG (DE) 2018-06-06 EP claimed
WO-2018019676-A1 ACTIVE COMPOUND COMBINATIONS AND METHODS TO PROTECT THE PROPAGATION MATERIAL OF PLANTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-02-01 WO claimed
EP-2925142-B1 COMPOSITION COMPRISING A BIOLOGICAL CONTROL AGENT AND AN INSECTICIDE BAYER CROPSCIENCE AG (DE) 2018-01-31 EP claimed
US-9867377-B2 Composition comprising a biological control agent and an insecticide BAYER CROPSCIENCE AG (DE) 2018-01-16 US claimed
US-20110160054-A1 Pesticidal Mixtures Comprising Cyanosulfoximine Compounds and Spinetoram BASF SE (DE) 2011-06-30 US claimed
EP-2320741-A2 PESTICIDAL MIXTURES COMPRISING CYANOSULFOXIMINE COMPOUNDS AND SPINETORAM BASF SE (DE) 2011-05-18 EP claimed
WO-2011029506-A1 3-[1-(3-HALOALKYL)-TRIAZOLYL]-PHENYL-SULFIDE DERIVATIVES FOR USE AS ACARICIDES AND INSECTICIDES BAYER CROPSCIENCE AG (DE) 2011-03-17 WO claimed
US-20110045104-A1 3-[1-(3-Haloalkyl)triazolyl]phenyl sulphide derivatives as acaricides and insecticides BAYER CROPSCIENCE AG (DE) 2011-02-24 US claimed
US-20110046194-A1 3-Triazolylphenyl-substituted sulphide derivatives as acaricides and insecticides BAYER CROPSCIENCE AG (DE) 2011-02-24 US claimed
WO-2011020567-A1 3-TRIAZOLYLPHENYL-SUBSTITUTED SULFIDE DERIVATIVES FOR USE AS ACARICIDES AND INSECTICIDES BAYER CROPSCIENCE AG (DE) 2011-02-24 WO claimed
US-20100120616-A1 Pesticidal Mixtures Comprising Cyanosulfoximine Compounds BASF SE (DE) 2010-05-13 US claimed
WO-2010023171-A2 PESTICIDAL MIXTURES COMPRISING CYANOSULFOXIMINE COMPOUNDS AND SPINETORAM BASF SE (DE) 2010-03-04 WO claimed
EP-2114163-A2 PESTICIDAL MIXTURES COMPRISING CYANOSULFOXIMINE COMPOUNDS BASF SE (DE) 2009-11-11 EP claimed
WO-2008125410-A2 PESTICIDAL MIXTURES COMPRISING CYANOSULFOXIMINE COMPOUNDS BASF SE (DE) 2008-10-23 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-20190159451-A1 ACTIVE COMPOUND COMBINATIONS AND METHODS TO PROTECT THE PROPAGATION MATERIAL OF PLANTS BROX, CAT, MPG SLC22A12 4829/4885KDM4E 3723/4885ALDH1A1 3331/4885
US-20100120616-A1 Pesticidal Mixtures Comprising Cyanosulfoximine Compounds CHRM3, CHRM5, CHRM2 SLC22A12 4065/4885KDM4E 1848/4885ALDH1A1 2624/4885
US-20110045104-A1 3-[1-(3-Haloalkyl)triazolyl]phenyl sulphide derivatives as acaricides and insecticides ATL3, PDIA3, NAT1 SLC22A12 3099/4885KDM4E 4319/4885ALDH1A1 163/4885
US-20110160054-A1 Pesticidal Mixtures Comprising Cyanosulfoximine Compounds and Spinetoram CHRM3, CHRM2, BRS3 SLC22A12 3595/4885KDM4E 2403/4885ALDH1A1 3669/4885
US-20110046194-A1 3-Triazolylphenyl-substituted sulphide derivatives as acaricides and insecticides CYP4B1, ARSA, C1S SLC22A12 3184/4885KDM4E 3966/4885ALDH1A1 589/4885

“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.