SCHEMBL3072509

SCHEMBL3072509

O=C(OCc1cccc(C(F)(F)F)c1)C(c1ccc(F)cc1F)C(O)c1cccnc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 3/20 0.43
KCNH2 Q12809 1/20 0.43
FFAR1 O14842 1/20 0.41
CYP3A4 P08684 2/20 0.41
CYP3A5 P20815 2/20 0.41
PRKCA P17252 1/20 0.40
PRKCD Q05655 1/20 0.40
THRB P10828 1/20 0.39
MMP1 P03956 1/20 0.38
MMP12 P39900 1/20 0.38
MDM2 Q00987 1/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
LRRK2 Q5S007 1/20 0.38
SRPK3 Q9UPE1 1/20 0.38
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TRPV1 Q8NER1 1/20 0.37

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
SCHEMBL13093724 1.00 KCNA5 (0.43) KCNA5KCNH2FFAR1CYP3A4CYP3A5
SCHEMBL13093726 1.00 KCNA5 (0.43) KCNA5KCNH2FFAR1CYP3A4CYP3A5
SCHEMBL3062258 0.86 KCNA5 (0.45) KCNA5KCNH2FFAR1PRKCAPRKCD
SCHEMBL3062239 0.86 FFAR1 (0.47) KCNA5KCNH2FFAR1PRKCAPRKCD
SCHEMBL13866586 0.84 KCNA5 (0.45) KCNA5KCNH2FFAR1CYP3A4CYP3A5
SCHEMBL3061574 0.83 FFAR1 (0.41) KCNA5KCNH2FFAR1PRKCAPRKCD
SCHEMBL3074108 0.82 FFAR1 (0.45) KCNA5FFAR1CYP3A4PRKCAPRKCD
SCHEMBL6309762 0.81 PRKCA (0.46) KCNA5FFAR1PRKCAPRKCDMMP1
SCHEMBL13093728 0.81 FFAR1 (0.43) KCNA5FFAR1PRKCAPRKCDMMP1
SCHEMBL13093725 0.81 FFAR1 (0.43) KCNA5FFAR1PRKCAPRKCDMMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100267555-A1 Fungicidal mixtures II BASF SE (DE) 2010-10-21 US claimed
EP-2222169-A2 FUNGICIDAL MIXTURES II BASF SE (DE) 2010-09-01 EP claimed
WO-2009063075-A2 FUNGICIDAL MIXTURES II BASF SE (DE) 2009-05-22 WO claimed
US-20050277663-A1 3-Aryl-3-hydroxy-and 3-aryl-3-oxopropionic acid esters as fungicides ATP CAPITAL LP 2005-12-15 US claimed
US-20100267555-A1 Fungicidal mixtures II BASF SE (DE) 2010-10-21 US disclosed
EP-2222169-A2 FUNGICIDAL MIXTURES II BASF SE (DE) 2010-09-01 EP disclosed
WO-2009063075-A2 FUNGICIDAL MIXTURES II BASF SE (DE) 2009-05-22 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-20050277663-A1 3-Aryl-3-hydroxy-and 3-aryl-3-oxopropionic acid esters as fungicides CYP21A2, HAO1, AHR KCNA5 432/4885KCNH2 474/4885FFAR1 222/4885
US-20100267555-A1 Fungicidal mixtures II CBR3, CBR1, NOX3 KCNA5 605/4885KCNH2 274/4885FFAR1 556/4885

“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.