SCHEMBL3074998

SCHEMBL3074998

O=C(OCc1cccc(C(F)(F)F)c1)C(CSc1nc2ccccc2s1)C(O)c1cccnc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
GPR55 Q9Y2T6 1/20 0.40
APEX1 P27695 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
MAPT P10636 4/20 0.38
FFAR1 O14842 1/20 0.37
POLB P06746 3/20 0.37
RECQL P46063 1/20 0.37
ALDH1A1 P00352 3/20 0.36
HPGD P15428 2/20 0.36
MMP1 P03956 1/20 0.36
MMP12 P39900 1/20 0.36
KCNA5 P22460 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
SCHEMBL3075544 0.91 ALDH1A1 (0.41) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL3067161 0.90 KCNA5 (0.39) L3MBTL1MAPTFFAR1ALDH1A1MMP1
SCHEMBL3076028 0.87 FFAR1 (0.37) MEN1KMT2AMAPTFFAR1ALDH1A1
SCHEMBL6316513 0.85 FFAR1 (0.41) MEN1KMT2ACYP3A4CYP2C9L3MBTL1
SCHEMBL3076912 0.85 FFAR1 (0.43) KMT2AL3MBTL1FFAR1ALDH1A1MMP1
SCHEMBL3078927 0.85 FFAR1 (0.38) MEN1KMT2AMAPTFFAR1ALDH1A1
SCHEMBL3074292 0.85 FFAR1 (0.40) L3MBTL1FFAR1ALDH1A1MMP1MMP12
SCHEMBL3071336 0.84 FFAR1 (0.37) MEN1KMT2AMAPTFFAR1ALDH1A1
SCHEMBL3066645 0.83 KCNA5 (0.43) MAPTFFAR1MMP1MMP12KCNA5
SCHEMBL3069083 0.83 KCNA5 (0.44) MAPTFFAR1POLBALDH1A1MMP1

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 8 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
WO-2005123727-A1 3-ARYL-3-HYDROXY- AND 3-ARYL-3-OXOPROPIONIC ACID ESTERS AS FUNGICIDES CROPSOLUTION, INC. (US) 2005-12-29 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 MEN1 1608/4885KMT2A 1213/4885CYP1A2 18/4885
US-20100267555-A1 Fungicidal mixtures II CBR3, CBR1, NOX3 MEN1 2476/4885KMT2A 4299/4885CYP1A2 26/4885

“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.