SCHEMBL1926293

SCHEMBL1926293

CCOC(=O)C(C)(S)Oc1cc(F)c2ncc(Br)cc2c1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 3/20 0.34
ALOX5AP P20292 3/20 0.33
KDM4E B2RXH2 2/20 0.32
HSD17B10 Q99714 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
HPGD P15428 1/20 0.32
CYP1A2 P05177 2/20 0.31
ABCB11 O95342 1/20 0.31
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31
HTR2A P28223 1/20 0.31
PMP22 Q01453 1/20 0.31
PPARA Q07869 1/20 0.31
ALDH1A1 P00352 2/20 0.30
LMNA P02545 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL633372 0.82 KDM4E (0.32) FBP1KDM4EHSD17B10NPSR1HPGD
SCHEMBL1928118 0.76 ABCB11 (0.32) FBP1CYP1A2ABCB11CYP3A4TSHR
SCHEMBL3105613 0.76 ABCB11 (0.40) FBP1HPGDCYP1A2ABCB11CYP3A4
SCHEMBL1929011 0.74 CNR2 (0.33) CYP1A2CYP3A4ALDH1A1CYP2C9CYP2C19
SCHEMBL23904842 0.74 PTPN11 (0.43) HSD17B10NPSR1HPGDTSHRALDH1A1
SCHEMBL1926296 0.74 ALOX5AP (0.34) ALOX5APKDM4EHSD17B10NPSR1HPGD
SCHEMBL1927110 0.71 ALDH1A1 (0.31) ALDH1A1
SCHEMBL1929063 0.70 PDE2A (0.38) KDM4ENPSR1CYP1A2ALDH1A1LMNA
SCHEMBL31485318 0.69 CYP2C9 (0.43) HPGDALDH1A1CYP2C9CYP2C19SMN1; SMN2
SCHEMBL26650468 0.69 CYP2C9 (0.43) HPGDALDH1A1CYP2C9CYP2C19SMN1; 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 FBP1 1233/4885ALOX5AP 1672/4885KDM4E 929/4885

“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.