SCHEMBL1928097

SCHEMBL1928097

CCOC(=O)C(Oc1cc(C)c(C#N)c(C)c1)SC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.42
KDM4E B2RXH2 12/20 0.40
HTT P42858 1/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
LMNA P02545 4/20 0.39
HSD17B10 Q99714 3/20 0.39
TP53 P04637 2/20 0.39
HPGD P15428 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
NPC1 O15118 1/20 0.39
CASP1 P29466 1/20 0.39
RAB9A P51151 1/20 0.39
CASP7 P55210 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
GLA P06280 1/20 0.37
ATM Q13315 1/20 0.37
MAPT P10636 2/20 0.37
FNTA P49354 1/20 0.37
FNTB P49356 1/20 0.37

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
SCHEMBL1927577 0.85 TDP1 (0.38) ALDH1A1KDM4EKMT2AMEN1HSD17B10
SCHEMBL1927735 0.84 SMN1; SMN2 (0.40) ALDH1A1KDM4EKMT2AMEN1LMNA
SCHEMBL1928099 0.81 LMNA (0.45) ALDH1A1KDM4EHTTKMT2AMEN1
SCHEMBL1928233 0.81 ALDH1A1 (0.46) ALDH1A1HTTLMNAHSD17B10TP53
SCHEMBL1927578 0.73 TDP1 (0.60) ALDH1A1KDM4EKMT2AMEN1HPGD
SCHEMBL14022457 0.71 ALDH1A1 (0.35) ALDH1A1KDM4EHTTKMT2AMEN1
SCHEMBL3103661 0.70 MAPT (0.37) ALDH1A1KMT2AMEN1LMNATP53
SCHEMBL1927770 0.70 SYK (0.31) ALDH1A1LMNATDP1MAPT
SCHEMBL6137034 0.69 CA12 (0.55) ALDH1A1KDM4EKMT2AMEN1LMNA
SCHEMBL1927197 0.67 TDP1 (0.43) ALDH1A1KDM4EKMT2AMEN1LMNA

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 895/4885KDM4E 929/4885HTT 4197/4885

“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.