SCHEMBL697929

SCHEMBL697929

Cc1cc([S+]([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)ccc1N

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
CYP3A4 P08684 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
TSHR P16473 1/20 0.40
S100B P04271 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
ESR1 P03372 1/20 0.30
AR P10275 1/20 0.30
ESR2 Q92731 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
SCHEMBL697198 0.95 ALDH1A1 (0.41) ALDH1A1CYP3A4TDP1TSHRS100B
SCHEMBL698077 0.89 CYP3A4 (0.44) ALDH1A1CYP3A4TDP1TSHRS100B
SCHEMBL697055 0.82 CYP3A4 (0.44) ALDH1A1CYP3A4TDP1TSHRS100B
SCHEMBL698864 0.82 ALDH1A1 (0.34) ALDH1A1CYP3A4TDP1TSHR
SCHEMBL698003 0.77 ALDH1A1 (0.35) ALDH1A1CYP3A4TDP1TSHR
SCHEMBL7646903 0.75 GAA (0.34)
SCHEMBL697755 0.72 GAA (0.34)
SCHEMBL17783301 0.72 CYP3A4 (0.50) ALDH1A1CYP3A4TDP1TSHRS100B
SCHEMBL15084238 0.70 CYP3A4 (0.48) ALDH1A1CYP3A4TDP1TSHRS100B
SCHEMBL698196 0.69 ALDH1A1 (0.38) ALDH1A1CYP3A4TDP1TSHRSMN1; SMN2

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 1956/4885CYP3A4 166/4885TDP1 2795/4885
US-20120220802-A1 INSECTICIDE FOR AGRICULTURAL OR HORTICULTURAL USE AND METHOD OF USE THEREOF CYP1A2, CYP2C9, CYP3A7 ALDH1A1 145/4885CYP3A4 17/4885TDP1 2554/4885
US-20130066114-A1 INSECTICIDE FOR AGRICULTURAL OR HORTICULTURAL USE AND METHOD OF USE THEREOF CYP2C8, CYP4F8, CYP3A7 ALDH1A1 184/4885CYP3A4 16/4885TDP1 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.