SCHEMBL1928233

SCHEMBL1928233

CCOC(=O)C(Oc1cc(C)c(Br)c(C)c1)SC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
LMNA P02545 4/20 0.41
HPGD P15428 2/20 0.40
TSHR P16473 4/20 0.39
MAPT P10636 4/20 0.39
MAPK1 P28482 2/20 0.39
TP53 P04637 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.36
PIN1 Q13526 1/20 0.36
STAT3 P40763 1/20 0.35
NOD2 Q9HC29 1/20 0.35
TDP1 Q9NUW8 3/20 0.34
MMP8 P22894 1/20 0.34
CYP3A4 P08684 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
GPR35 Q9HC97 1/20 0.33
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33
AR P10275 1/20 0.33

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
SCHEMBL1927735 0.88 SMN1; SMN2 (0.40) ALDH1A1LMNAHPGDSMN1; SMN2PIN1
SCHEMBL1928210 0.84 ALDH1A1 (0.43) ALDH1A1LMNAHPGDTSHRMAPT
SCHEMBL1928097 0.81 ALDH1A1 (0.42) ALDH1A1LMNAHPGDMAPTTP53
SCHEMBL1928235 0.80 ALDH1A1 (0.53) ALDH1A1LMNAHPGDTSHRMAPT
SCHEMBL3103661 0.73 MAPT (0.37) ALDH1A1LMNAHPGDMAPTMAPK1
SCHEMBL1927770 0.73 SYK (0.31) ALDH1A1LMNAMAPTSMN1; SMN2TDP1
SCHEMBL4820214 0.73 SMN1; SMN2 (0.69) ALDH1A1LMNAHPGDSMN1; SMN2TDP1
SCHEMBL1926296 0.72 ALOX5AP (0.34) LMNAHPGDTSHRMAPTHSD17B10
SCHEMBL1928212 0.70 TDP1 (0.66) ALDH1A1LMNAHPGDTSHRSMN1; SMN2
SCHEMBL1927197 0.70 TDP1 (0.43) ALDH1A1LMNAHPGDTSHRSMN1; SMN2

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 5 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
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
WO-2006058700-A1 ACETAMIDE COMPOUNDS AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2006-06-08 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 (1 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 ALDH1A1 895/4885LMNA 4617/4885HPGD 4169/4885

“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.