SCHEMBL1926439

SCHEMBL1926439

CSC(Oc1ccc2ncc(I)cc2c1)C(=O)NC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 2/20 0.38
ALDH1A1 P00352 4/20 0.38
HPGD P15428 2/20 0.38
F2 P00734 1/20 0.38
GLA P06280 1/20 0.38
SCN9A Q15858 1/20 0.36
MET P08581 4/20 0.33
CLK1 P49759 1/20 0.33
ALPL P05186 1/20 0.32
YES1 P07947 3/20 0.31
MAPK1 P28482 2/20 0.31
AURKB Q96GD4 2/20 0.31
KDR P35968 2/20 0.31
AURKA O14965 1/20 0.31
ABL1 P00519 1/20 0.31
LCK P06239 1/20 0.31
FYN P06241 1/20 0.31
FGFR2 P21802 1/20 0.31
EPHA2 P29317 1/20 0.31
LTK P29376 1/20 0.31

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
SCHEMBL534692 0.88 ALDH1A1 (0.36) HPGDSALDH1A1HPGDF2GLA
SCHEMBL14763588 0.88 ALDH1A1 (0.49) HPGDSALDH1A1HPGDF2GLA
SCHEMBL13077864 0.88 HPGDS (0.39) HPGDSALDH1A1HPGDF2GLA
SCHEMBL534791 0.87 ALDH1A1 (0.33) HPGDSALDH1A1HPGDF2GLA
SCHEMBL534790 0.87 ALDH1A1 (0.33) HPGDSALDH1A1HPGDF2GLA
SCHEMBL633389 0.87 HPGDS (0.38) HPGDSALDH1A1HPGDF2GLA
SCHEMBL12181860 0.86 PPARA (0.40) HPGDSALDH1A1HPGDF2GLA
SCHEMBL534690 0.85 ALDH1A1 (0.34) HPGDSALDH1A1HPGDF2GLA
SCHEMBL534691 0.85 ALDH1A1 (0.34) HPGDSALDH1A1HPGDF2GLA
SCHEMBL13077465 0.85 SCN9A (0.39) HPGDSALDH1A1HPGDF2GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20100056570-A1 FUNGICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-03-04 US disclosed
EP-1817309-B1 ACETAMIDE COMPOUNDS AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2009-12-23 EP disclosed
EP-2068632-A1 FUNGICIDES Syngeta Participations AG (CH) 2009-06-17 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
WO-2008028624-A1 FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2008-03-13 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 (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-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 HPGDS 4483/4885ALDH1A1 895/4885HPGD 4169/4885
US-20100056570-A1 FUNGICIDES CYP21A2, CYP51A1, CYP4X1 HPGDS 4806/4885ALDH1A1 336/4885HPGD 3810/4885

“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.