SCHEMBL3069221

SCHEMBL3069221

O=C(OCc1cccc(C(F)(F)F)c1)C(CSc1nc2ccccc2o1)C(O)c1cccnc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.39
PTGS2 P35354 2/20 0.39
FFAR1 O14842 1/20 0.39
TP53 P04637 1/20 0.38
MAPT P10636 3/20 0.38
MAPK1 P28482 3/20 0.38
TSHR P16473 2/20 0.38
PTPN2 P17706 1/20 0.37
PTPN1 P18031 1/20 0.37
PTGS1 P23219 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
RAB9A P51151 2/20 0.36
KMT2A Q03164 1/20 0.36
KCNA5 P22460 1/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
HCRTR1 O43613 1/20 0.36
ALDH1A1 P00352 1/20 0.36
PRKCA P17252 1/20 0.36
PRKCD Q05655 1/20 0.36

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
SCHEMBL3076912 0.85 FFAR1 (0.43) LMNAFFAR1KMT2AKCNA5L3MBTL1
SCHEMBL3066645 0.83 KCNA5 (0.43) FFAR1MAPTKCNA5PRKCAPRKCD
SCHEMBL3069083 0.83 KCNA5 (0.44) FFAR1MAPTKCNA5ALDH1A1PRKCA
SCHEMBL3074998 0.82 MEN1 (0.40) LMNAFFAR1MAPTMAPK1TSHR
SCHEMBL3067161 0.80 KCNA5 (0.39) FFAR1MAPTKCNA5L3MBTL1TDP1
SCHEMBL3075533 0.80 FFAR1 (0.46) LMNAFFAR1KMT2AKCNA5TDP1
SCHEMBL3074292 0.80 FFAR1 (0.40) FFAR1KCNA5L3MBTL1ALDH1A1PRKCA
SCHEMBL3076028 0.79 FFAR1 (0.37) FFAR1MAPTKMT2AKCNA5TDP1
SCHEMBL3071336 0.79 FFAR1 (0.37) FFAR1MAPTKMT2AKCNA5TDP1
SCHEMBL6316513 0.79 FFAR1 (0.41) FFAR1TP53TSHRSMN1; SMN2RAB9A

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 LMNA 3281/4885PTGS2 3817/4885FFAR1 222/4885
US-20100267555-A1 Fungicidal mixtures II CBR3, CBR1, NOX3 LMNA 516/4885PTGS2 2496/4885FFAR1 556/4885

“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.