SCHEMBL1927735

SCHEMBL1927735

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

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.40
PIN1 Q13526 2/20 0.38
TDP1 Q9NUW8 2/20 0.36
MMP8 P22894 2/20 0.36
HPGD P15428 2/20 0.36
CYP3A4 P08684 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
LMNA P02545 1/20 0.35
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
KMT2A Q03164 1/20 0.34
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
AR P10275 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL1928233 0.88 ALDH1A1 (0.46) SMN1; SMN2PIN1TDP1MMP8HPGD
SCHEMBL1928097 0.84 ALDH1A1 (0.42) TDP1HPGDL3MBTL1LMNAMEN1
SCHEMBL1927197 0.83 TDP1 (0.43) SMN1; SMN2TDP1HPGDCYP3A4L3MBTL1
SCHEMBL1927738 0.78 KMT2A (0.51) SMN1; SMN2TDP1HPGDL3MBTL1LMNA
SCHEMBL3103661 0.76 MAPT (0.37) TDP1HPGDCYP3A4L3MBTL1LMNA
SCHEMBL1927770 0.76 SYK (0.31) SMN1; SMN2TDP1LMNAALDH1A1
SCHEMBL1926971 0.75 ALOX5 (0.34) SMN1; SMN2TDP1LMNAMEN1NPC1
SCHEMBL11359371 0.71 SMN1; SMN2 (0.73) SMN1; SMN2TDP1MEN1KMT2APPARG
SCHEMBL14869197 0.70 CCR1 (0.33) KDM4E
SCHEMBL1928210 0.70 ALDH1A1 (0.43) SMN1; SMN2TDP1HPGDLMNAMEN1

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 SMN1; SMN2 3104/4885PIN1 1885/4885TDP1 3721/4885

“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.