SCHEMBL697889

SCHEMBL697889

Nc1c(Br)cc(S(=O)(=O)C(F)(F)C(F)(F)F)cc1Br

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 10/20 0.55
CA1 P00915 9/20 0.55
CA9 Q16790 6/20 0.55
CA3 P07451 1/20 0.55
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
CA12 O43570 1/20 0.37
CA4 P22748 1/20 0.37
CA6 P23280 1/20 0.37
CA5A P35218 1/20 0.37
CA7 P43166 1/20 0.37
CA14 Q9ULX7 1/20 0.37
CA5B Q9Y2D0 1/20 0.37
EPAS1 Q99814 6/20 0.35
GSK3B P49841 1/20 0.32
APEX1 P27695 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL699249 0.89 CA2 (0.52) CA2CA1CA9CA3ALDH1A1
SCHEMBL999002 0.88 CA2 (0.59) CA2CA1CA9CA3ALDH1A1
SCHEMBL699101 0.87 CA1 (0.50) CA2CA1CA9CA3
SCHEMBL697711 0.85 CA2 (0.55) CA2CA1CA9CA3ALDH1A1
SCHEMBL7750641 0.79 ALDH1A1 (0.55) CA2CA1CA9CA3ALDH1A1
SCHEMBL698013 0.77 CA2 (0.53) CA2CA1CA9ALDH1A1CA12
SCHEMBL697646 0.77 ALDH1A1 (0.39) ALDH1A1
SCHEMBL697575 0.74 ALDH1A1 (0.32) CA2ALDH1A1
SCHEMBL7745986 0.73 ALDH1A1 (0.51) CA2CA1CA9CA3ALDH1A1
SCHEMBL7772190 0.73 CA2 (0.67) CA2CA1CA9CA3GAA

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 10 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
US-8158814-B2 Insecticide for agricultural or horticultural use and method of use thereof MITSUI CHEMICALS, INC. (JP) 2012-04-17 US disclosed
EP-2423188-A1 Agricultural/Horticultural Insecticide and Method for Using the Same MITSUI CHEMICALS AGRO, INC. (JP) 2012-02-29 EP disclosed
US-20070027154-A1 Insecticide for agricultural or horticultural use and method of use thereof MITSUI CHEMICALS., INC. (JP) 2007-02-01 US disclosed
EP-1661886-A1 INSECTICIDE FOR AGRICULTURAL OR HORTICULTURAL USE AND METHOD OF USE THEREOF Mitsui Chemicals, Inc. (JP) 2006-05-31 EP 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 (4 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 CA2 273/4885CA1 516/4885CA9 1233/4885
US-20120220802-A1 INSECTICIDE FOR AGRICULTURAL OR HORTICULTURAL USE AND METHOD OF USE THEREOF CYP1A2, CYP2C9, CYP3A7 CA2 2509/4885CA1 2811/4885CA9 580/4885
US-20130066114-A1 INSECTICIDE FOR AGRICULTURAL OR HORTICULTURAL USE AND METHOD OF USE THEREOF CYP2C8, CYP4F8, CYP3A7 CA2 1969/4885CA1 2194/4885CA9 1499/4885
US-20070027154-A1 Insecticide for agricultural or horticultural use and method of use thereof CBR3, ATL3, CNPY2 CA2 232/4885CA1 298/4885CA9 967/4885

“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.