SCHEMBL699703

SCHEMBL699703

Cc1cc(S(=O)(=O)C(F)(F)C(F)(F)F)ccc1N

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
LMNA P02545 3/20 0.48
TDP1 Q9NUW8 3/20 0.41
CYP3A4 P08684 2/20 0.41
ESPL1 Q14674 1/20 0.40
TSHR P16473 1/20 0.39
EPAS1 Q99814 3/20 0.38
FFAR4 Q5NUL3 3/20 0.38
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA4 P22748 2/20 0.38
CA6 P23280 2/20 0.38
CA5A P35218 2/20 0.38
CA7 P43166 2/20 0.38
CA9 Q16790 2/20 0.38
CA14 Q9ULX7 2/20 0.38
CA5B Q9Y2D0 2/20 0.38
POLB P06746 1/20 0.38
S100B P04271 1/20 0.36

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
SCHEMBL698870 0.90 ALDH1A1 (0.49) ALDH1A1LMNATDP1CYP3A4ESPL1
SCHEMBL2788826 0.89 ALDH1A1 (0.70) ALDH1A1LMNATDP1CYP3A4ESPL1
SCHEMBL697553 0.89 ALDH1A1 (0.47) ALDH1A1LMNATDP1CYP3A4CA1
SCHEMBL699066 0.86 ALDH1A1 (0.51) ALDH1A1LMNATDP1CYP3A4ESPL1
SCHEMBL20682534 0.80 ALDH1A1 (0.47) ALDH1A1LMNATDP1CYP3A4TSHR
SCHEMBL697646 0.80 ALDH1A1 (0.39) ALDH1A1LMNATDP1CYP3A4TSHR
SCHEMBL20484436 0.76 GAA (0.59) ALDH1A1LMNAFFAR4CA12CA1
SCHEMBL3223963 0.76 ALDH1A1 (0.47) ALDH1A1LMNATDP1CYP3A4TSHR
SCHEMBL436337 0.75 ALDH1A1 (0.55) ALDH1A1LMNATDP1CYP3A4TSHR
SCHEMBL13556573 0.75 ALDH1A1 (0.70) ALDH1A1LMNATDP1CYP3A4ESPL1

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
EP-1661886-B1 INSECTICIDE FOR AGRICULTURAL OR HORTICULTURAL USE AND METHOD OF USE THEREOF MITSUI CHEMICALS AGRO INC (JP) 2016-08-10 EP disclosed
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
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 (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 ALDH1A1 1956/4885LMNA 4134/4885TDP1 2795/4885
US-20120220802-A1 INSECTICIDE FOR AGRICULTURAL OR HORTICULTURAL USE AND METHOD OF USE THEREOF CYP1A2, CYP2C9, CYP3A7 ALDH1A1 145/4885LMNA 2773/4885TDP1 2554/4885
US-20130066114-A1 INSECTICIDE FOR AGRICULTURAL OR HORTICULTURAL USE AND METHOD OF USE THEREOF CYP2C8, CYP4F8, CYP3A7 ALDH1A1 184/4885LMNA 3274/4885TDP1 2440/4885

“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.