SCHEMBL1360916

SCHEMBL1360916

CC(C)(C)OC(=O)C(Br)Oc1cc(Cl)cc(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.42
KMT2A Q03164 3/20 0.38
LMNA P02545 1/20 0.38
GRN P28799 3/20 0.37
SORT1 Q99523 3/20 0.37
STS P08842 2/20 0.32
CNR2 P34972 2/20 0.32
EPAS1 Q99814 1/20 0.31
OGG1 O15527 1/20 0.31
CYP3A4 P08684 3/20 0.31
CYP1A2 P05177 2/20 0.31
CYP2D6 P10635 2/20 0.31
CYP2C19 P33261 2/20 0.31
CYP2C9 P11712 1/20 0.31
NFKB1 P19838 1/20 0.31
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
PPARA Q07869 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
AKR1C3 P42330 1/20 0.30

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
SCHEMBL11241834 0.84 PPARA (0.44) KMT2ALMNACYP3A4CYP1A2CYP2D6
SCHEMBL1359818 0.82 APP (0.46) APPKMT2ALMNAGRNSORT1
SCHEMBL5914739 0.79 APP (0.41) APPKMT2ALMNAGRNSORT1
SCHEMBL1359816 0.78 APP (0.40) APPKMT2ALMNAGRNSORT1
SCHEMBL11276032 0.67 CYP3A4 (0.42) KMT2ALMNACYP3A4CYP1A2CYP2D6
SCHEMBL5914742 0.67 MAPT (0.43) LMNACYP3A4CYP1A2CYP2C19CYP2C9
SCHEMBL18243873 0.67 APP (0.39) APPGRNSORT1STSCYP2D6
SCHEMBL11513712 0.67 OGG1 (0.49) KMT2ACNR2OGG1CYP2C19MAPT
SCHEMBL11283460 0.67 TSHR (0.38) OGG1CYP3A4CYP2D6MAPT
SCHEMBL3844831 0.66 TPMT (0.46) APPKMT2AGRNSORT1STS

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8067592-B2 N-alkyny-2-(substituted aryloxy) alkylthioamine derivatives as fungicides SYNGENTA LIMITED (GB) 2011-11-29 US disclosed
US-7956188-B2 N-substituted-2-alkylthio-2-(substituted aryloxy and heteroaryloxy)alkylamides and their sulphinyl and sulphonyl derivatives such as 2-(3,5-dichlorophenoxy)-2-methylthio-N-2-methylprop-2-yl acetamide; fungal infections of plants SYNGENTA CROP PROTECTION, INC. (US) 2011-06-07 US disclosed
EP-1638928-B1 N-ALKYNYL-2-(SUBSTITUTED ARYLOXY)ALKYLTHIOAMIDE DERIVATIVES AS FUNGICIDES SYNGENTA LTD (GB) 2010-09-29 EP disclosed
EP-1817309-B1 ACETAMIDE COMPOUNDS AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2009-12-23 EP disclosed
US-20080171767-A1 N-substituted-2-alkylthio-2-(substituted aryloxy and heteroaryloxy)alkylamides and their sulphinyl and sulphonyl derivatives such as 2-(3,5-dichlorophenoxy)-2-methylthio-N-2-methylprop-2-yl acetamide; fungal infections of plants SYNGENTA CROP PROTECTION, INC. (US) 2008-07-17 US disclosed
EP-1817309-A1 ACETAMIDE COMPOUNDS AS FUNGICIDES Syngeta Participations AG (CH) 2007-08-15 EP disclosed
US-20070042996-A1 N-alkynyl-2-(substituted aryloxy) alkylthioamine derivatives as fungicides SYNGENTA LIMITED (GB) 2007-02-22 US disclosed
US-20060217346-A1 Fungicides SYNGENTA LIMITED (GB) 2006-09-28 US disclosed
WO-2006058700-A1 ACETAMIDE COMPOUNDS AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2006-06-08 WO disclosed
EP-1638928-A1 N-ALKYNYL-2-(SUBSTITUTED ARYLOXY)ALKYLTHIOAMIDE DERIVATIVES AS FUNGICIDES Syngenta Limited (GB) 2006-03-29 EP disclosed
EP-1567006-A1 FUNGICIDES Syngenta Limited (GB) 2005-08-31 EP disclosed
WO-2004108663-A1 N-ALKYNYL-2- (SUBSTITUTED ARYLOXY) ALKYLTHIOAMIDE DERIVATIVES AS FUNGICIDES SYNGENTA LIMITED (GB) 2004-12-16 WO disclosed
WO-2004052100-A1 FUNGICIDES SYNGENTA LIMITED (GB) 2004-06-24 WO 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 (3 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-20080171767-A1 N-substituted-2-alkylthio-2-(substituted aryloxy and heteroaryloxy)alkylamides and their sulphinyl and sulphonyl derivatives such as 2-(3,5-dichlorophenoxy)-2-methylthio-N-2-methylprop-2-yl acetamide; fungal infections of plants NAT1, DPM1, AADAC APP 4214/4885KMT2A 66/4885LMNA 4617/4885
US-20060217346-A1 Fungicides CYP51A1, CYP4X1, CYP1A2 APP 4375/4885KMT2A 2348/4885LMNA 4406/4885
US-20070042996-A1 N-alkynyl-2-(substituted aryloxy) alkylthioamine derivatives as fungicides NAT1, AKR7A2, KCNA2 APP 4103/4885KMT2A 227/4885LMNA 680/4885

“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.