SCHEMBL1928587

SCHEMBL1928587

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 6/20 0.39
ALDH1A1 P00352 4/20 0.38
HPGD P15428 3/20 0.38
F2 P00734 1/20 0.38
GLA P06280 1/20 0.38
PDE3B Q13370 4/20 0.38
PDE3A Q14432 4/20 0.38
P2RY12 Q9H244 4/20 0.38
KDM4E B2RXH2 4/20 0.38
MAOB P27338 2/20 0.37
CYP1A2 P05177 2/20 0.37
TSHR P16473 2/20 0.37
ABCB11 O95342 1/20 0.37
CYP3A4 P08684 1/20 0.37
HTR2A P28223 1/20 0.37
PMP22 Q01453 1/20 0.37
PPARA Q07869 1/20 0.37
LMNA P02545 1/20 0.36
MEN1 O00255 1/20 0.36
HSP90AA1 P07900 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
SCHEMBL1928118 0.82 ABCB11 (0.32) FBP1CYP1A2TSHRABCB11CYP3A4
SCHEMBL3224137 0.80 PDGFRB (0.36) FBP1MAOBTSHRMEN1KMT2A
SCHEMBL3604762 0.75 AR (0.45) ALDH1A1HPGDF2GLAPDE3B
SCHEMBL1928588 0.74 ALDH1A1 (0.39) ALDH1A1HPGDF2GLAPDE3B
SCHEMBL534433 0.73 ALDH1A1 (0.43) ALDH1A1HPGDF2GLAKDM4E
SCHEMBL1361201 0.71 DYRK1A (0.49) ALDH1A1HPGDKDM4ETSHRLMNA
SCHEMBL535361 0.70 SMN1; SMN2 (0.51) ALDH1A1HPGDF2GLAKDM4E
SCHEMBL12181865 0.69 CYP3A4 (0.46) ALDH1A1HPGDF2GLAPDE3B
SCHEMBL29365635 0.69 MAOB (0.57) ALDH1A1HPGDKDM4EMAOBLMNA
SCHEMBL28701482 0.69 MAOB (0.57) ALDH1A1HPGDKDM4EMAOBLMNA

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 FBP1 1233/4885ALDH1A1 895/4885HPGD 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.