SCHEMBL1928588

SCHEMBL1928588

CCOC(=O)C(Oc1ccc2ncc(I)cc2c1)SC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.39
HPGD P15428 5/20 0.39
KDM4E B2RXH2 4/20 0.39
CYP1A2 P05177 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
F2 P00734 1/20 0.39
GLA P06280 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HSP90AA1 P07900 1/20 0.39
LMNA P02545 4/20 0.38
PRNP P04156 1/20 0.38
ALOX5 P09917 1/20 0.38
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
P2RY12 Q9H244 1/20 0.36
NMT1 P30419 2/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL535370 0.87 ALDH1A1 (0.43) ALDH1A1HPGDKDM4ESMN1; SMN2HSD17B10
SCHEMBL3604762 0.83 AR (0.45) ALDH1A1HPGDKDM4ECYP1A2SMN1; SMN2
SCHEMBL1927770 0.83 SYK (0.31) ALDH1A1CYP1A2SMN1; SMN2LMNACYP2C9
SCHEMBL1359017 0.81 ALOX5 (0.55) ALDH1A1KDM4ESMN1; SMN2LMNAALOX5
SCHEMBL3224139 0.81 PDGFRB (0.36) HPGDCYP1A2TSHRMEN1KMT2A
SCHEMBL14769656 0.80 ALDH1A1 (0.44) ALDH1A1HPGDKDM4ECYP1A2SMN1; SMN2
SCHEMBL1926439 0.80 HPGDS (0.38) ALDH1A1HPGDKDM4ESMN1; SMN2HSD17B10
SCHEMBL535361 0.78 SMN1; SMN2 (0.51) ALDH1A1HPGDKDM4ESMN1; SMN2HSD17B10
SCHEMBL14769652 0.78 ALDH1A1 (0.44) ALDH1A1HPGDKDM4ECYP1A2HSD17B10
SCHEMBL535229 0.77 MET (0.35) ALDH1A1HPGDKDM4ESMN1; SMN2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8440595-B2 Fungicides SYNGENTA CROP PROTECTION LLC (US) 2013-05-14 US disclosed
EP-2185519-B1 NOVEL FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2011-08-10 EP 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
US-20100286199-A1 NOVEL FUNGICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-11-11 US disclosed
EP-2185519-A2 NOVEL FUNGICIDES Sygenta Participations AG. (CH) 2010-05-19 EP disclosed
EP-1817309-B1 ACETAMIDE COMPOUNDS AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2009-12-23 EP disclosed
WO-2009049716-A2 NOVEL FUNGICIDES SYGENTA PARTICIPATIONS AG (CH) 2009-04-23 WO 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 (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 ALDH1A1 895/4885HPGD 4169/4885KDM4E 929/4885
US-20100286199-A1 NOVEL FUNGICIDES CYP51A1, CYP4X1, CYP1B1 ALDH1A1 262/4885HPGD 4633/4885KDM4E 441/4885

“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.