SCHEMBL16212234

SCHEMBL16212234

CC(F)(F)C(=O)Nc1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 6/20 0.70
PDK2 Q15119 6/20 0.70
PDK3 Q15120 6/20 0.70
PDK4 Q16654 6/20 0.70
HDAC3 O15379 1/20 0.56
HDAC4 P56524 1/20 0.56
HDAC1 Q13547 1/20 0.56
HDAC7 Q8WUI4 1/20 0.56
HDAC2 Q92769 1/20 0.56
HDAC10 Q969S8 1/20 0.56
HDAC11 Q96DB2 1/20 0.56
HDAC8 Q9BY41 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
HDAC9 Q9UKV0 1/20 0.56
HDAC5 Q9UQL6 1/20 0.56
ABCC9 O60706 3/20 0.54
ABCC8 Q09428 3/20 0.54
KCNJ11 Q14654 3/20 0.54
KCNJ8 Q15842 3/20 0.54
ABCB11 O95342 1/20 0.54

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
SCHEMBL9709058 0.84 PDK1 (0.71) PDK1PDK2PDK3PDK4HDAC3
SCHEMBL14849461 0.83 PDK1 (0.63) PDK1PDK2PDK3PDK4HDAC3
SCHEMBL474941 0.83 HDAC1 (0.65) PDK1PDK2PDK3PDK4HDAC3
SCHEMBL83110 0.83 L3MBTL1 (0.78) PDK1PDK2PDK3PDK4L3MBTL1
SCHEMBL28050469 0.82 PDK1 (1.00) PDK1PDK2PDK3PDK4ABCC9
SCHEMBL6359557 0.82 PDK1 (1.00) PDK1PDK2PDK3PDK4ABCC9
SCHEMBL436619 0.81 PDK1 (0.61) PDK1PDK2PDK3PDK4HDAC3
SCHEMBL3129785 0.81 PDK1 (0.67) PDK1PDK2PDK3PDK4ABCC9
SCHEMBL9677254 0.81 PDK1 (0.61) PDK1PDK2PDK3PDK4HDAC3
SCHEMBL8321463 0.80 PDK1 (0.61) PDK1PDK2PDK3PDK4HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180305299-A1 N-(2-FLUORO-2-PHENETHYL)CARBOXAMIDES AS NEMATICIDES AND ENDOPARASITICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-10-25 US disclosed
WO-2016066636-A1 N-(2-HALOGEN-2-PHENETHYL)CARBOXAMIDES AS FUNGICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-05-06 WO disclosed
US-20160075637-A1 N-(2-FLUORO-2-PHENETHYL)CARBOXAMIDES AS NEMATICIDES AND ENDOPARASITICIDES BAYER CROPSCIENCE AKTIENGESSELLSCHAFT (DE) 2016-03-17 US disclosed
EP-2991485-A1 N-(2-FLUORO-2-PHENETHYL)CARBOXAMIDES AS NEMATICIDES AND ENDOPARASITICIDES Bayer CropScience Aktiengesellschaft (DE) 2016-03-09 EP disclosed
WO-2014177582-A1 N-(2-FLUORO-2-PHENETHYL)CARBOXAMIDES AS NEMATICIDES AND ENDOPARASITICIDES BAYER CROPSCIENCE AG (DE) 2014-11-06 WO 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-20180305299-A1 N-(2-FLUORO-2-PHENETHYL)CARBOXAMIDES AS NEMATICIDES AND ENDOPARASITICIDES NIT2, PFAS, DNPH1 PDK1 4855/4885PDK2 3875/4885PDK3 4670/4885
US-20160075637-A1 N-(2-FLUORO-2-PHENETHYL)CARBOXAMIDES AS NEMATICIDES AND ENDOPARASITICIDES NIT2, PFAS, DNPH1 PDK1 4855/4885PDK2 3875/4885PDK3 4670/4885

“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.