SCHEMBL3067158

SCHEMBL3067158

CC(C)(C)c1csc(SCC(C(=O)OCc2cccc(C(F)(F)F)c2)C(O)c2cccnc2)n1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.36
KCNA5 P22460 1/20 0.35
PRKCA P17252 1/20 0.35
PRKCD Q05655 1/20 0.35
ADRB2 P07550 1/20 0.34
ADRB1 P08588 1/20 0.34
ADRB3 P13945 1/20 0.34
VNN1 O95497 2/20 0.34
MMP1 P03956 1/20 0.33
MMP12 P39900 1/20 0.33
NAMPT P43490 1/20 0.33
KDR P35968 1/20 0.33
MAOB P27338 1/20 0.33
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL3071336 0.91 FFAR1 (0.37) FFAR1KCNA5PRKCAPRKCDADRB2
SCHEMBL6316513 0.87 FFAR1 (0.41) FFAR1KCNA5ADRB2ADRB1ADRB3
SCHEMBL3074292 0.85 FFAR1 (0.40) FFAR1KCNA5PRKCAPRKCDVNN1
SCHEMBL3076028 0.84 FFAR1 (0.37) FFAR1KCNA5PRKCAPRKCDVNN1
SCHEMBL3078927 0.83 FFAR1 (0.38) FFAR1KCNA5PRKCAPRKCDVNN1
SCHEMBL3074998 0.83 MEN1 (0.40) FFAR1KCNA5PRKCAPRKCDMMP1
SCHEMBL3067161 0.82 KCNA5 (0.39) FFAR1KCNA5PRKCAPRKCDVNN1
SCHEMBL3069083 0.82 KCNA5 (0.44) FFAR1KCNA5PRKCAPRKCDVNN1
SCHEMBL3076912 0.82 FFAR1 (0.43) FFAR1KCNA5PRKCAPRKCDVNN1
SCHEMBL3066645 0.81 KCNA5 (0.43) FFAR1KCNA5PRKCAPRKCDVNN1

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-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 FFAR1 222/4885KCNA5 432/4885PRKCA 3943/4885
US-20100267555-A1 Fungicidal mixtures II CBR3, CBR1, NOX3 FFAR1 556/4885KCNA5 605/4885PRKCA 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.