SCHEMBL3069847

SCHEMBL3069847

CCC(OC(=O)C(CSc1nc2cccnc2s1)C(O)c1cccnc1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 3/20 0.38
ALDH1A1 P00352 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
ADORA3 P0DMS8 2/20 0.33
ADORA2B P29275 2/20 0.33
MAPT P10636 2/20 0.33
HDAC6 Q9UBN7 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CXCR3 P49682 1/20 0.32
CYP2C9 P11712 1/20 0.32
PDK1 Q15118 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ROCK2 O75116 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC8 Q9BY41 1/20 0.32

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
SCHEMBL3076926 0.86 KCNA5 (0.43) KCNA5ALDH1A1L3MBTL1MAPTHDAC6
SCHEMBL3067161 0.86 KCNA5 (0.39) KCNA5ALDH1A1L3MBTL1MAPTKDM4E
SCHEMBL3074998 0.76 MEN1 (0.40) KCNA5ALDH1A1L3MBTL1MAPTHTT
SCHEMBL6310888 0.75 KCNA5 (0.35) KCNA5ALDH1A1L3MBTL1MAPTKDM4E
SCHEMBL3076028 0.74 FFAR1 (0.37) KCNA5ALDH1A1MAPTKDM4ETDP1
SCHEMBL3075097 0.74 MEN1 (0.40) ALDH1A1MAPTKDM4EHTTCYP2C9
SCHEMBL3074292 0.73 FFAR1 (0.40) KCNA5ALDH1A1L3MBTL1FFAR1
SCHEMBL3075544 0.72 ALDH1A1 (0.41) ALDH1A1L3MBTL1MAPTKDM4ECYP2C9
SCHEMBL3078927 0.72 FFAR1 (0.38) KCNA5ALDH1A1MAPTLMNATP53
SCHEMBL3066645 0.72 KCNA5 (0.43) KCNA5MAPTFFAR1

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 KCNA5 432/4885ALDH1A1 99/4885L3MBTL1 2208/4885
US-20100267555-A1 Fungicidal mixtures II CBR3, CBR1, NOX3 KCNA5 605/4885ALDH1A1 764/4885L3MBTL1 1121/4885

“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.