SCHEMBL1008766

SCHEMBL1008766

N#CC(C(=O)C(F)(F)F)c1cc(Cl)cc(C(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAPGEF3 O95398 10/20 0.40
RAPGEF4 Q8WZA2 4/20 0.40
SLC13A3 Q8WWT9 1/20 0.35
GAA P10253 1/20 0.34
DDR1 Q08345 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KLRK1 P26718 1/20 0.33
MICA Q29983 1/20 0.33
RAET1L Q5VY80 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PKM P14618 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
TACR1 P25103 1/20 0.33
RPS6KA3 P51812 1/20 0.33
JAK3 P52333 1/20 0.33
CES2 O00748 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
SCHEMBL7271607 0.89 GRN (0.35) RAPGEF3RAPGEF4GAA
Water SCHEMBL943020 0.79 RXRA (0.40) RAPGEF3RAPGEF4GAAHDAC3HDAC1
SCHEMBL3728532 0.79 RXRA (0.40) RAPGEF3RAPGEF4GAAHDAC3HDAC1
SCHEMBL10850710 0.79 RAPGEF3 (0.38) RAPGEF3RAPGEF4SLC13A3DDR1KLRK1
SCHEMBL10773057 0.77 CNR2 (0.41) RAPGEF3RAPGEF4TACR1
SCHEMBL166050 0.76 HDAC4 (0.41) L3MBTL1ALDH1A1
SCHEMBL7097950 0.74 GAA (0.39) RAPGEF3RAPGEF4SLC13A3GAADDR1
SCHEMBL1008191 0.73 MDM2 (0.40) RAPGEF3L3MBTL1
SCHEMBL20767316 0.73 SLC6A3 (0.41) ALDH1A1PKM
SCHEMBL9956248 0.72 PDK1 (0.30)

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
EP-2374791-A1 Insecticidal 4-phenyl-1H pyrazoles Bayer CropScience Aktiengesellschaft (DE) 2011-10-12 EP disclosed
US-20110190365-A1 Insecticidal 4-phenyl-1H-pyrazoles BAYER CROP SCIENCE AG (DE) 2011-08-04 US disclosed
EP-2321262-A1 INSECTICIDAL 4-PHENYL-1H-PYRAZOLES Bayer CropScience AG (DE) 2011-05-18 EP disclosed
EP-2125789-B1 PYRIMIDINYL PYRAZOLES AS INSECTICIDES AND PARASITICIDE ACTIVE AGENTS BAYER CROPSCIENCE AG (DE) 2011-03-16 EP disclosed
EP-2275422-A1 Pyrimidinylpyrazoles as insecticide and parasiticide agents Bayer CropScience AG (DE) 2011-01-19 EP disclosed
US-20100144672-A1 PYRIMIDINYL PYRAZOLES AS INSECTICIDES AND PARASITICIDE ACTIVE AGENTS BAYER CROPSCIENCE AG (DE) 2010-06-10 US disclosed
WO-2010017902-A1 INSECTICIDAL 4-PHENYL-1H-PYRAZOLES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2010-02-18 WO disclosed
EP-2125789-A1 PYRIMIDINYL PYRAZOLES AS INSECTICIDES AND PARASITICIDE ACTIVE AGENTS Bayer CropScience AG (DE) 2009-12-02 EP disclosed
WO-2008077483-A1 PYRIMIDINYL PYRAZOLES AS INSECTICIDES AND PARASITICIDE ACTIVE AGENTS BAYER CROPSCIENCE AG (DE) 2008-07-03 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-20110190365-A1 Insecticidal 4-phenyl-1H-pyrazoles CYP4X1, CYP4B1, CYP3A4 RAPGEF3 447/4885RAPGEF4 495/4885SLC13A3 3016/4885
US-20100144672-A1 PYRIMIDINYL PYRAZOLES AS INSECTICIDES AND PARASITICIDE ACTIVE AGENTS PIR, ITPA, DDT RAPGEF3 759/4885RAPGEF4 1141/4885SLC13A3 3499/4885

“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.