SCHEMBL3072922

SCHEMBL3072922

Cc1cnn(CC(C(=O)OCc2cccc(C(F)(F)F)c2)C(O)c2cccnc2)c1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.39
KCNA5 P22460 2/20 0.38
PRKCA P17252 1/20 0.38
PRKCD Q05655 1/20 0.38
EGLN1 Q9GZT9 1/20 0.36
MMP1 P03956 1/20 0.36
MMP12 P39900 1/20 0.36
MAOB P27338 2/20 0.35
JAK3 P52333 2/20 0.35
VNN1 O95497 1/20 0.35
OPRK1 P41145 1/20 0.35
DDR1 Q08345 1/20 0.35
DDR2 Q16832 1/20 0.35
TP53 P04637 1/20 0.34
NTRK1 P04629 1/20 0.34

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
SCHEMBL3071472 0.93 FFAR1 (0.41) FFAR1KCNA5PRKCAPRKCDEGLN1
SCHEMBL3076925 0.90 MEN1 (0.41) FFAR1KCNA5PRKCAPRKCDEGLN1
SCHEMBL6308384 0.84 FFAR1 (0.40) FFAR1KCNA5PRKCAPRKCDMMP1
SCHEMBL3065993 0.82 CYP19A1 (0.41) FFAR1KCNA5PRKCAPRKCDMMP1
SCHEMBL3075533 0.81 FFAR1 (0.46) FFAR1KCNA5PRKCAPRKCDMMP1
SCHEMBL6309762 0.81 PRKCA (0.46) FFAR1KCNA5PRKCAPRKCDMMP1
SCHEMBL3061785 0.79 ALDH1A1 (0.43) FFAR1KCNA5PRKCAPRKCDMMP1
SCHEMBL3069083 0.77 KCNA5 (0.44) FFAR1KCNA5PRKCAPRKCDMMP1
SCHEMBL3076912 0.77 FFAR1 (0.43) FFAR1KCNA5PRKCAPRKCDMMP1
SCHEMBL3062239 0.77 FFAR1 (0.47) FFAR1KCNA5PRKCAPRKCDMMP1

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.