SCHEMBL1956508

SCHEMBL1956508

CC(C#N)(CCSC(F)(F)F)S(=O)(=O)Cc1ccc(C(F)(F)F)nc1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LGMN Q99538 1/20 0.34
DAO P14920 3/20 0.33
TKT P29401 1/20 0.32
NR1H2 P55055 6/20 0.31
NR1H3 Q13133 6/20 0.31
CYP2C9 P11712 1/20 0.31
SLC22A6 Q4U2R8 1/20 0.31
SLC22A8 Q8TCC7 1/20 0.31
SLC22A12 Q96S37 1/20 0.31
SLC22A11 Q9NSA0 1/20 0.31
NAMPT P43490 1/20 0.31
PPARD Q03181 1/20 0.31
TRPV4 Q9HBA0 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
SCHEMBL1957966 0.82 KIF11 (0.40) LGMNDAONAMPT
SCHEMBL1955096 0.74 LGMN (0.34) LGMNDAONR1H2NR1H3NAMPT
SCHEMBL1956968 0.73 AR (0.35)
SCHEMBL1957652 0.71
SCHEMBL12797513 0.70 DAO (0.42) DAOTKTNR1H2NR1H3NAMPT
SCHEMBL1956899 0.69 DAO (0.39) LGMNDAOTKTNR1H2NR1H3
SCHEMBL119494 0.69 CDK2 (0.39) DAONR1H2NR1H3NAMPTPPARD
SCHEMBL14740029 0.68 CDK2 (0.37) LGMNDAOTKTNAMPTPPARD
SCHEMBL13373481 0.67 DAO (0.45) DAOTKTNR1H2NR1H3NAMPT
SCHEMBL1958130 0.67

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
EP-2507209-B1 PESTICIDAL BIS-ORGANOSULFUR COMPOUNDS MERIAL INC (US) 2015-07-08 EP disclosed
US-8846569-B2 Pesticidal bis-organosulfur compounds MERIAL LIMITED (US) 2014-09-30 US disclosed
US-20120283094-A1 PESTICIDAL BIS-ORGANOSULFUR COMPOUNDS MERIAL, INC. 2012-11-08 US disclosed
EP-2507209-A1 PESTICIDAL BIS-ORGANOSULFUR COMPOUNDS Merial Limited (US) 2012-10-10 EP disclosed
WO-2011069143-A1 PESTICIDAL BIS-ORGANOSULFUR COMPOUNDS MERIAL LIMITED (US) 2011-06-09 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-20120283094-A1 PESTICIDAL BIS-ORGANOSULFUR COMPOUNDS DDT, GSS, GSR LGMN 2822/4885DAO 292/4885TKT 1013/4885

“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.