SCHEMBL5643498

SCHEMBL5643498

NNC(=O)Nc1ccccc1OC(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.55
EPHX2 P34913 1/20 0.51
IDH2 P48735 1/20 0.49
KIT P10721 1/20 0.47
KDR P35968 1/20 0.47
FLT3 P36888 1/20 0.47
P2RY1 P47900 1/20 0.47
CXCR2 P25025 3/20 0.46
IDH1 O75874 1/20 0.46
NAMPT P43490 1/20 0.46
ALDH1A1 P00352 2/20 0.45
ATR Q13535 1/20 0.45
KMT2A Q03164 1/20 0.43
ANO1 Q5XXA6 3/20 0.43
RXFP1 Q9HBX9 1/20 0.42
PDK1 Q15118 1/20 0.42
PDK2 Q15119 1/20 0.42
PDK3 Q15120 1/20 0.42
PDK4 Q16654 1/20 0.42
C1R P00736 1/20 0.42

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
SCHEMBL13712 0.85 GAA (0.55) GAAEPHX2IDH2KITKDR
SCHEMBL14853356 0.84 ALDH1A1 (0.59) GAAEPHX2IDH2KITKDR
SCHEMBL2095941 0.81 GAA (0.55) GAAEPHX2IDH2KITKDR
SCHEMBL2095943 0.81 GAA (0.55) GAAEPHX2IDH2P2RY1IDH1
SCHEMBL14850118 0.81 GAA (0.52) GAAEPHX2IDH2KITKDR
SCHEMBL27599891 0.81 GAA (0.56) GAAEPHX2IDH2KITKDR
SCHEMBL30140662 0.81 GAA (0.51) GAAEPHX2IDH2KITKDR
SCHEMBL13979 0.80 GAA (0.51) GAAEPHX2IDH2P2RY1CXCR2
SCHEMBL13480590 0.80 GAA (0.55) GAAEPHX2IDH2P2RY1IDH1
SCHEMBL16291113 0.80 GAA (0.54) GAAEPHX2IDH2NAMPTALDH1A1

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-9375001-B1 Granular fly bait WELLMARK INTERNATIONAL (US) 2016-06-28 US disclosed
US-7312200-B2 9-ketospinosyn derivatives BAYER CROPSCIENCE AG (DE) 2007-12-25 US disclosed
US-20060128642-A1 9-Ketospinosyn derivatives BAYER CROPSCIENCE AG (DE) 2006-06-15 US disclosed
EP-1590358-A1 9-KETOSPINOSYN DERIVATIVES Bayer CropScience Aktiengesellschaft (DE) 2005-11-02 EP disclosed
WO-2004065402-A1 9-KETOSPINOSYN DERIVATIVES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2004-08-05 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 (1 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-20060128642-A1 9-Ketospinosyn derivatives SNX9, NANS, BROX GAA 3295/4885EPHX2 413/4885IDH2 1584/4885

“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.