SCHEMBL3076028

SCHEMBL3076028

Cc1nc(SCC(C(=O)OCc2cccc(C(F)(F)F)c2)C(O)c2cccnc2)sc1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.37
MAPT P10636 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
KCNA5 P22460 1/20 0.36
PRKCA P17252 1/20 0.36
PRKCD Q05655 1/20 0.36
ALDH1A1 P00352 2/20 0.35
HPGD P15428 1/20 0.35
GPR52 Q9Y2T5 4/20 0.34
NR1D1 P20393 1/20 0.34
NR1H3 Q13133 1/20 0.34
MMP1 P03956 1/20 0.34
MMP12 P39900 1/20 0.34
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
DDR1 Q08345 1/20 0.33
DDR2 Q16832 1/20 0.33
VNN1 O95497 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
SCHEMBL3078927 0.88 FFAR1 (0.38) FFAR1MAPTMEN1KMT2AKCNA5
SCHEMBL3074998 0.87 MEN1 (0.40) FFAR1MAPTMEN1KMT2AKCNA5
SCHEMBL3071336 0.87 FFAR1 (0.37) FFAR1MAPTMEN1KMT2AKCNA5
SCHEMBL3067161 0.87 KCNA5 (0.39) FFAR1MAPTKCNA5PRKCAPRKCD
SCHEMBL3075544 0.85 ALDH1A1 (0.41) FFAR1MAPTMEN1KMT2AALDH1A1
SCHEMBL3074292 0.85 FFAR1 (0.40) FFAR1KCNA5PRKCAPRKCDALDH1A1
SCHEMBL3067158 0.84 FFAR1 (0.36) FFAR1MAPTKCNA5PRKCAPRKCD
SCHEMBL3076912 0.83 FFAR1 (0.43) FFAR1KMT2AKCNA5PRKCAPRKCD
SCHEMBL3069083 0.83 KCNA5 (0.44) FFAR1MAPTKCNA5PRKCAPRKCD
SCHEMBL6316513 0.82 FFAR1 (0.41) FFAR1MEN1KMT2AKCNA5ALDH1A1

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 4 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
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 222/4885MAPT 4435/4885MEN1 1608/4885
US-20100267555-A1 Fungicidal mixtures II CBR3, CBR1, NOX3 FFAR1 556/4885MAPT 4877/4885MEN1 2476/4885

“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.