SCHEMBL758358

SCHEMBL758358

CC(C)(Br)C(=O)c1ccc2c(c1)OC(F)(F)C(F)(F)O2

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 4/20 0.42
WNT3A P56704 3/20 0.42
SMYD3 Q9H7B4 3/20 0.37
KIF11 P52732 1/20 0.35
GPR183 P32249 2/20 0.34
PDK1 Q15118 1/20 0.34
PDK2 Q15119 1/20 0.34
CNR1 P21554 2/20 0.33
ACHE P22303 1/20 0.32
BRAF P15056 2/20 0.32
PDE2A O00408 1/20 0.32
KIT P10721 1/20 0.31

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
SCHEMBL758623 0.86 CTNNB1 (0.44) CTNNB1WNT3ASMYD3KIF11GPR183
SCHEMBL1907961 0.80 KDM4E (0.49) CTNNB1WNT3ASMYD3KIF11BRAF
SCHEMBL31085181 0.80 KDM4E (0.49) CTNNB1WNT3ASMYD3KIF11BRAF
SCHEMBL5503013 0.79 CTNNB1 (0.49) CTNNB1WNT3ASMYD3KIF11CNR1
SCHEMBL24769914 0.79 CTNNB1 (0.54) CTNNB1WNT3ASMYD3GPR183PDK1
SCHEMBL5753071 0.78 ALDH1A1 (0.52) CTNNB1WNT3ASMYD3KIF11CNR1
SCHEMBL2647988 0.77 CTNNB1 (0.55) CTNNB1WNT3ASMYD3
SCHEMBL15104920 0.76 TSHR (0.53) CTNNB1WNT3ASMYD3KIF11PDK2
SCHEMBL758294 0.75 KDM4E (0.47) CTNNB1WNT3ASMYD3KIF11CNR1
SCHEMBL23336084 0.73 CTNNB1 (0.40) CTNNB1WNT3ASMYD3KIF11CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1776011-B1 FUNGICIDAL COMPOSITION CONTAINING AN ACID AMIDE DERIVATIVE ISHIHARA SANGYO KAISHA (JP) 2012-03-21 EP disclosed
US-8039420-B2 Fungicidal composition containing acid amide derivative ISHIHARA SANGYO KAISHA, LTD. (JP) 2011-10-18 US disclosed
US-7829501-B2 Fungicidal composition containing acid amide derivative ISHIHARA SANGYO KAISHA, LTD. (JP) 2010-11-09 US disclosed
US-20100261735-A1 FUNGICIDAL COMPOSITION CONTAINING ACID AMIDE DERIVATIVE ISHIHARA SANGYO KAISHA, LTD. (JP) 2010-10-14 US disclosed
US-20100261675-A1 FUNGICIDAL COMPOSITION CONTAINING ACID AMIDE DERIVATIVE ISHIHARA SANGYO KAISHA, LTD. (JP) 2010-10-14 US disclosed
US-20080318779-A1 N-[(4'-methoxy-2'-methyl-1,1-dimethyl)phenacyl]-3-methyl-2-thiophenecarboxamide and another fungicide or an antibiotic; controlling noxious fungi at a low dose; Oomycetes, Ascomycetes, Basidiomycetes, Deuteromycetes particularly effective against Ascomycetes or Deuteromycetes; plant diseases ISHIHARA SANGYO KAISHA LTD (JP) 2008-12-25 US disclosed
EP-1776011-A1 FUNGICIDAL COMPOSITION CONTAINING ACID AMIDE DERIVATIVE ISHIHARA SANGYO KAISHA, LTD. (JP) 2007-04-25 EP disclosed
WO-2006016708-A1 FUNGICIDAL COMPOSITION CONTAINING ACID AMIDE DERIVATIVE ISHIHARA SANGYO KAISHA, LTD. (JP) 2006-02-16 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 (3 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-20080318779-A1 N-[(4'-methoxy-2'-methyl-1,1-dimethyl)phenacyl]-3-methyl-2-thiophenecarboxamide and another fungicide or an antibiotic; controlling noxious fungi at a low dose; Oomycetes, Ascomycetes, Basidiomycetes, Deuteromycetes particularly effective against Ascomycetes or Deuteromycetes; plant diseases AADAC, NAT1, TH CTNNB1 3551/4885WNT3A 2780/4885SMYD3 507/4885
US-20100261675-A1 FUNGICIDAL COMPOSITION CONTAINING ACID AMIDE DERIVATIVE CBR3, AADAC, NAT1 CTNNB1 4680/4885WNT3A 4550/4885SMYD3 877/4885
US-20100261735-A1 FUNGICIDAL COMPOSITION CONTAINING ACID AMIDE DERIVATIVE CBR3, AADAC, NAT1 CTNNB1 4680/4885WNT3A 4550/4885SMYD3 877/4885

“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.