SCHEMBL3069248

SCHEMBL3069248

O=C(OCc1ccc(Cl)c(C(F)(F)F)c1)C(CSc1nccs1)C(O)c1cccnc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.37
CNR1 P21554 2/20 0.37
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
OPRK1 P41145 1/20 0.35
KDM4C Q9H3R0 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
IDO1 P14902 2/20 0.34
NAMPT P43490 1/20 0.34
CCR2 P41597 1/20 0.33
FFAR1 O14842 1/20 0.33
KDM4A O75164 1/20 0.33
KDM5A P29375 1/20 0.33
KDM5B Q9UGL1 1/20 0.33
PLA2G7 Q13093 1/20 0.32
KDR P35968 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
SCHEMBL3061593 0.87 ADRB3 (0.36) CNR2CNR1MEN1ALDH1A1LMNA
SCHEMBL3074292 0.86 FFAR1 (0.40) ALDH1A1FFAR1
SCHEMBL6309522 0.86 MAPT (0.38) CNR2CNR1MEN1ALDH1A1LMNA
SCHEMBL6311345 0.82 MAPT (0.43) MEN1ALDH1A1LMNAMAPTHTT
SCHEMBL3067397 0.82 MAPT (0.37) MEN1ALDH1A1LMNAMAPTHTT
SCHEMBL3061679 0.82 PPARA (0.39) LMNAMAPTOPRK1
SCHEMBL3075097 0.77 MEN1 (0.40) MEN1ALDH1A1LMNAMAPTHTT
SCHEMBL6310071 0.77 IDO1 (0.35) CNR2ALDH1A1HTTKDM4CIDO1
SCHEMBL6508441 0.77 MEN1 (0.46) CNR2CNR1MEN1ALDH1A1LMNA
SCHEMBL6308396 0.75 NPSR1 (0.47) MEN1ALDH1A1LMNAMAPTHTT

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 CNR2 2818/4885CNR1 2694/4885MEN1 1608/4885
US-20100267555-A1 Fungicidal mixtures II CBR3, CBR1, NOX3 CNR2 257/4885CNR1 172/4885MEN1 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.