SCHEMBL1934699

SCHEMBL1934699

[O-][n+]1ccc(-c2cccc(F)c2C(F)(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.43
SCN9A Q15858 1/20 0.36
S1PR1 P21453 1/20 0.34
P2RX7 Q99572 1/20 0.33
BDKRB1 P46663 2/20 0.32
PDK2 Q15119 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
SCHEMBL21357712 0.80 TRPA1 (0.49) TRPA1SCN9AP2RX7BDKRB1PDK2
SCHEMBL12439806 0.79 TRPA1 (0.41) TRPA1SCN9AP2RX7BDKRB1
SCHEMBL1936060 0.75 TRPA1 (0.49) TRPA1SCN9AP2RX7PDK2
SCHEMBL1934700 0.72 TRPA1 (0.43) TRPA1SCN9AS1PR1PDK2
SCHEMBL28920777 0.72 TRPA1 (0.47) TRPA1SCN9AP2RX7BDKRB1PDK2
SCHEMBL4056345 0.70 APP (0.49) S1PR1
SCHEMBL28160253 0.70 TTR (0.57) TRPA1SCN9APDK2
SCHEMBL1541726 0.70 TRPA1 (0.40) TRPA1P2RX7PDK2
SCHEMBL1934713 0.67 TRPA1 (0.46) TRPA1SCN9AS1PR1
SCHEMBL17950045 0.66 TRPA1 (0.44) TRPA1SCN9AP2RX7BDKRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2332936-B1 PYRIDINE COMPOUND AND USE THEREOF FOR PEST CONTROL SUMITOMO CHEMICAL CO (JP) 2013-09-04 EP disclosed
US-20110178132-A1 PYRIDINE COMPOUND AND USE THEREOF FOR PEST CONTROL SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2011-07-21 US disclosed
EP-2332936-A1 PYRIDINE COMPOUND AND USE THEREOF FOR PEST CONTROL Sumitomo Chemical Company, Limited (JP) 2011-06-15 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 (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-20110178132-A1 PYRIDINE COMPOUND AND USE THEREOF FOR PEST CONTROL C5, PRDX1, PRDX4 TRPA1 324/4885SCN9A 3140/4885S1PR1 1947/4885

“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.