SCHEMBL3076912

SCHEMBL3076912

O=C(OCc1cccc(C(F)(F)F)c1)C(CSc1ccccc1)C(O)c1cccnc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.43
KCNA5 P22460 3/20 0.42
HRH3 Q9Y5N1 1/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
EPHX1 P07099 1/20 0.40
PRKCA P17252 1/20 0.40
PRKCD Q05655 1/20 0.40
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
LRRK2 Q5S007 1/20 0.39
MMP1 P03956 1/20 0.38
MMP12 P39900 1/20 0.38
ALDH1A1 P00352 1/20 0.38
NR4A2 P43354 2/20 0.38
TACR1 P25103 1/20 0.37
KCNH2 Q12809 1/20 0.37
BCHE P06276 1/20 0.37
VNN1 O95497 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
SCHEMBL3066645 0.89 KCNA5 (0.43) FFAR1KCNA5ATMEPHX1PRKCA
SCHEMBL3069083 0.89 KCNA5 (0.44) FFAR1KCNA5ATMEPHX1PRKCA
SCHEMBL3075533 0.88 FFAR1 (0.46) FFAR1KCNA5EPHX1PRKCAPRKCD
SCHEMBL3074292 0.85 FFAR1 (0.40) FFAR1KCNA5L3MBTL1PRKCAPRKCD
SCHEMBL6309522 0.85 MAPT (0.38) FFAR1HRH3LMNAKMT2AALDH1A1
SCHEMBL3074998 0.85 MEN1 (0.40) FFAR1KCNA5L3MBTL1PRKCAPRKCD
SCHEMBL3069221 0.85 LMNA (0.39) FFAR1KCNA5ATML3MBTL1PRKCA
SCHEMBL6316513 0.85 FFAR1 (0.41) FFAR1KCNA5L3MBTL1EPHX1KMT2A
SCHEMBL3078927 0.84 FFAR1 (0.38) FFAR1KCNA5PRKCAPRKCDLMNA
SCHEMBL3061785 0.84 ALDH1A1 (0.43) FFAR1KCNA5PRKCAPRKCDLMNA

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 432/4885HRH3 859/4885
US-20100267555-A1 Fungicidal mixtures II CBR3, CBR1, NOX3 FFAR1 556/4885KCNA5 605/4885HRH3 251/4885

“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.