SCHEMBL3067161

SCHEMBL3067161

O=C(OCc1cccc(C(F)(F)F)c1)C(CSc1nc2cccnc2s1)C(O)c1cccnc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 3/20 0.39
FFAR1 O14842 1/20 0.38
ALDH1A1 P00352 3/20 0.36
NR1D1 P20393 1/20 0.36
NR1H3 Q13133 1/20 0.36
MMP1 P03956 1/20 0.35
MMP12 P39900 1/20 0.35
PRKCA P17252 1/20 0.35
PRKCD Q05655 1/20 0.35
VNN1 O95497 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
GAA P10253 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
NR4A2 P43354 2/20 0.33
CXCR3 P49682 1/20 0.33
LRRK2 Q5S007 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
SCHEMBL3074998 0.90 MEN1 (0.40) KCNA5FFAR1ALDH1A1MMP1MMP12
SCHEMBL3074292 0.87 FFAR1 (0.40) KCNA5FFAR1ALDH1A1MMP1MMP12
SCHEMBL3076028 0.87 FFAR1 (0.37) KCNA5FFAR1ALDH1A1NR1D1NR1H3
SCHEMBL3069847 0.86 KCNA5 (0.38) KCNA5FFAR1ALDH1A1L3MBTL1KDM4E
SCHEMBL3069083 0.86 KCNA5 (0.44) KCNA5FFAR1ALDH1A1MMP1MMP12
SCHEMBL3075544 0.85 ALDH1A1 (0.41) FFAR1ALDH1A1L3MBTL1GAAKDM4E
SCHEMBL3075097 0.85 MEN1 (0.40) ALDH1A1KDM4EMAPTHTT
SCHEMBL3066645 0.84 KCNA5 (0.43) KCNA5FFAR1MMP1MMP12PRKCA
SCHEMBL3078927 0.84 FFAR1 (0.38) KCNA5FFAR1ALDH1A1MMP1MMP12
SCHEMBL3071336 0.83 FFAR1 (0.37) KCNA5FFAR1ALDH1A1MMP1MMP12

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-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 disclosed
WO-2009063075-A2 FUNGICIDAL MIXTURES II BASF SE (DE) 2009-05-22 WO disclosed
WO-2005123727-A1 3-ARYL-3-HYDROXY- AND 3-ARYL-3-OXOPROPIONIC ACID ESTERS AS FUNGICIDES CROPSOLUTION, INC. (US) 2005-12-29 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 222/4885ALDH1A1 99/4885
US-20100267555-A1 Fungicidal mixtures II CBR3, CBR1, NOX3 KCNA5 605/4885FFAR1 556/4885ALDH1A1 764/4885

“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.