SCHEMBL1788964

SCHEMBL1788964

FC(F)(F)CCSCc1ccc(C(F)(F)F)nc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 3/20 0.46
TRPV4 Q9HBA0 1/20 0.42
TKT P29401 1/20 0.38
KDM1A O60341 2/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
MRGPRX4 Q96LA9 1/20 0.32
PIK3CD O00329 1/20 0.31
PIK3CA P42336 1/20 0.31
PIK3CB P42338 1/20 0.31
PI4KA P42356 1/20 0.31
PIK3CG P48736 1/20 0.31
PI4KB Q9UBF8 1/20 0.31
NAMPT P43490 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP3A5 P20815 1/20 0.31
PPARD Q03181 1/20 0.31

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
SCHEMBL9612333 0.83 DAO (0.45) DAOTRPV4TKTKDM1AMAOA
SCHEMBL18405131 0.81 DAO (0.44) DAOTRPV4TKTKDM1AMAOA
SCHEMBL12314684 0.81 SMN1; SMN2 (0.43) DAOGRIN1GRIN2B
SCHEMBL1788076 0.80
SCHEMBL12314688 0.78 GRIN1 (0.31) GRIN1GRIN2B
SCHEMBL13356156 0.76 DAO (0.50) DAOTRPV4TKTKDM1AMAOA
SCHEMBL1787954 0.76
SCHEMBL688551 0.76 DAO (0.50) DAOTRPV4TKTKDM1AMAOA
SCHEMBL1146015 0.76 DAO (0.50) DAOTRPV4TKTKDM1AMAOA
SCHEMBL1786776 0.72 KCNH2 (0.32)

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-8263628-B2 Fluorine-containing organosulfur compound and pesticidal composition thereof SUMITOMO CHEMICAL COMPANY, LIMITED. (JP) 2012-09-11 US disclosed
US-20110124651-A1 FLUORINE-CONTAINING ORGANOSULFUR COMPOUND AND PESTICIDAL COMPOSITION THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED. (JP) 2011-05-26 US disclosed
CN-101835753-A Fluorine-containing organosulfur compound and pesticidal composition thereof SUMITOMO CHEMICAL CO 2010-09-15 CN disclosed
EP-2181094-A1 FLUORINE-CONTAINING ORGANOSULFUR COMPOUND AND PESTICIDAL COMPOSITION THEREOF Sumitomo Chemical Company, Limited (JP) 2010-05-05 EP disclosed
WO-2009025397-A1 FLUORINE-CONTAINING ORGANOSULFUR COMPOUND AND PESTICIDAL COMPOSITION THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-02-26 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-20110124651-A1 FLUORINE-CONTAINING ORGANOSULFUR COMPOUND AND PESTICIDAL COMPOSITION THEREOF DDT, AFF1, Q6ZSR9 DAO 2897/4885TRPV4 775/4885TKT 3157/4885

“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.