SCHEMBL20626880

SCHEMBL20626880

CCS(=O)(=O)c1cccnc1-c1ccc(OCC(F)(F)C(F)(F)F)c(C#N)n1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PLCG1 P19174 1/20 0.32
▸ COMT P21964 1/20 0.32
▸ TRPV1 Q8NER1 1/20 0.32
▸ CTSS P25774 6/20 0.32
▸ CTSK P43235 4/20 0.32
▸ TYK2 P29597 1/20 0.31
▸ MBOAT4 Q96T53 1/20 0.31
▸ XDH P47989 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
SCHEMBL17992185 0.85 COMT (0.38) COMT
SCHEMBL20626878 0.85 AAK1 (0.34) COMTTRPV1
SCHEMBL17992187 0.84 SLC22A12 (0.36) COMT
SCHEMBL17992235 0.78 CYP4F2 (0.34) COMT
SCHEMBL29672225 0.76 DGAT1 (0.35) COMT
SCHEMBL19767069 0.76 AAK1 (0.35) COMTTRPV1
SCHEMBL22518699 0.76 DGAT1 (0.35) COMT
SCHEMBL19767079 0.76 COMT (0.39) COMTTRPV1
SCHEMBL18908813 0.75 COMT (0.32) COMT
SCHEMBL19767080 0.74 COMT (0.35) COMTTRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10173997-B2 Bipyridine compound and use of same for noxious arthropod control SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2019-01-08 — — 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 (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-10173997-B2 Bipyridine compound and use of same for noxious arthropod control BBOX1, ACHE, MORF4L1 PLCG1 2920/4885COMT 1430/4885TRPV1 63/4885

“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.

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