SCHEMBL12003751

SCHEMBL12003751

N#Cc1cccc(Cc2c(Br)[c]c(Br)cc2S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)F)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPAS1 Q99814 3/20 0.35
VEGFA P15692 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.33
GLA P06280 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HRH3 Q9Y5N1 1/20 0.32
SLC22A12 Q96S37 1/20 0.32
IDH1 O75874 1/20 0.32
MEP1A Q16819 1/20 0.31
MEP1B Q16820 1/20 0.31
MRGPRX4 Q96LA9 1/20 0.31
RORC P51449 1/20 0.31
PDK1 Q15118 1/20 0.31
PDK2 Q15119 1/20 0.31
PDK3 Q15120 1/20 0.31
PDK4 Q16654 1/20 0.31
NR3C1 P04150 1/20 0.31
NR3C2 P08235 1/20 0.31
SLC6A4 P31645 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
SCHEMBL12003501 0.89 TRPV4 (0.31)
SCHEMBL12003667 0.84 CCR2 (0.31)
SCHEMBL12003750 0.80 HSD11B1 (0.31)
SCHEMBL2106680 0.80 EPAS1 (0.37) EPAS1VEGFASLC22A12PDK1PDK2
SCHEMBL6031302 0.79 MMP1 (0.33) PDK1PDK2PDK3PDK4ALDH1A1
SCHEMBL12003605 0.77
SCHEMBL12003640 0.77
SCHEMBL12003625 0.76 HRH3 (0.34) EPAS1L3MBTL1HRH3MRGPRX4SLC6A4
SCHEMBL12003666 0.74 MMP1 (0.35)
SCHEMBL12003369 0.74

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9101135-B2 Agricultural/horticultural insecticide and method for using the same MITSUI CHEMICALS, INC. (JP) 2015-08-11 US disclosed
US-9089133-B2 Insecticide for agricultural or horticultural use and method of use thereof MITSUI CHEMICALS, INC. (JP) 2015-07-28 US disclosed
US-20140303377-A1 AGRICULTURAL/HORTICULTURAL INSECTICIDE AND METHOD FOR USING THE SAME MITSUI CHEMICALS, INC. (JP) 2014-10-09 US disclosed
US-8816128-B2 Insecticide for agricultural or horticultural use and method of use thereof MITSUI CHEMICALS, INC. (JP) 2014-08-26 US disclosed
US-20130066114-A1 INSECTICIDE FOR AGRICULTURAL OR HORTICULTURAL USE AND METHOD OF USE THEREOF MITSUI CHEMICALS, INC. (JP) 2013-03-14 US disclosed
US-20120220802-A1 INSECTICIDE FOR AGRICULTURAL OR HORTICULTURAL USE AND METHOD OF USE THEREOF MITSUI CHEMICALS, INC. (JP) 2012-08-30 US 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 (3 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-20140303377-A1 AGRICULTURAL/HORTICULTURAL INSECTICIDE AND METHOD FOR USING THE SAME CBR3, ATL3, CNPY2 EPAS1 4247/4885VEGFA 1778/4885L3MBTL1 96/4885
US-20120220802-A1 INSECTICIDE FOR AGRICULTURAL OR HORTICULTURAL USE AND METHOD OF USE THEREOF CYP1A2, CYP2C9, CYP3A7 EPAS1 4735/4885VEGFA 2361/4885L3MBTL1 2050/4885
US-20130066114-A1 INSECTICIDE FOR AGRICULTURAL OR HORTICULTURAL USE AND METHOD OF USE THEREOF CYP2C8, CYP4F8, CYP3A7 EPAS1 4760/4885VEGFA 2503/4885L3MBTL1 1723/4885

“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.