SCHEMBL3066645

SCHEMBL3066645

O=C(OCc1cccc(C(F)(F)F)c1)C(CSc1ccccn1)C(O)c1cccnc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 2/20 0.43
FFAR1 O14842 2/20 0.42
PRKCA P17252 1/20 0.39
PRKCD Q05655 1/20 0.39
VNN1 O95497 1/20 0.38
LRRK2 Q5S007 1/20 0.38
MAPT P10636 2/20 0.38
EPHX1 P07099 1/20 0.37
MMP1 P03956 1/20 0.37
MMP12 P39900 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
NR4A2 P43354 2/20 0.37
PPIA P62937 1/20 0.36
ATM Q13315 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL3069083 0.91 KCNA5 (0.44) KCNA5FFAR1PRKCAPRKCDVNN1
SCHEMBL3076912 0.89 FFAR1 (0.43) KCNA5FFAR1PRKCAPRKCDVNN1
SCHEMBL3074292 0.85 FFAR1 (0.40) KCNA5FFAR1PRKCAPRKCDVNN1
SCHEMBL3067161 0.84 KCNA5 (0.39) KCNA5FFAR1PRKCAPRKCDVNN1
SCHEMBL3075533 0.84 FFAR1 (0.46) KCNA5FFAR1PRKCAPRKCDLRRK2
SCHEMBL3074998 0.83 MEN1 (0.40) KCNA5FFAR1PRKCAPRKCDMAPT
SCHEMBL3069221 0.83 LMNA (0.39) KCNA5FFAR1PRKCAPRKCDVNN1
SCHEMBL6308396 0.83 NPSR1 (0.47) KCNA5MAPTNPSR1
SCHEMBL3078927 0.82 FFAR1 (0.38) KCNA5FFAR1PRKCAPRKCDVNN1
SCHEMBL3061785 0.82 ALDH1A1 (0.43) KCNA5FFAR1PRKCAPRKCDMAPT

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
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
US-20050277663-A1 3-Aryl-3-hydroxy-and 3-aryl-3-oxopropionic acid esters as fungicides ATP CAPITAL LP 2005-12-15 US 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 432/4885FFAR1 222/4885PRKCA 3943/4885
US-20100267555-A1 Fungicidal mixtures II CBR3, CBR1, NOX3 KCNA5 605/4885FFAR1 556/4885PRKCA 4389/4885

“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.