SCHEMBL1790656

SCHEMBL1790656

FC(F)(F)CCSCc1ccc(Cl)cn1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.40
TRPA1 O75762 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.32
ALDH1A1 P00352 1/20 0.30
RAB9A P51151 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
SCHEMBL12314687 0.81 DAO (0.40) DAOALDH1A1
SCHEMBL1787300 0.81 KMT2A (0.39) DAOL3MBTL1ALDH1A1RAB9A
SCHEMBL22719068 0.73 TRPA1 (0.43) DAOTRPA1L3MBTL1
SCHEMBL31469752 0.73 TRPA1 (0.43) DAOTRPA1L3MBTL1
SCHEMBL1787954 0.73
SCHEMBL18443124 0.68 DAO (0.49) DAOTRPA1L3MBTL1
SCHEMBL1789289 0.68 APLNR (0.31) L3MBTL1RAB9A
SCHEMBL12314688 0.67 GRIN1 (0.31)
SCHEMBL1788076 0.66
SCHEMBL1788964 0.65 DAO (0.46) DAO

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 7 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-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
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 2897/4885TRPA1 19/4885L3MBTL1 9/4885

“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.