SCHEMBL17802465

SCHEMBL17802465

Cc1cc(F)c(-c2ccc3nn(-c4cccnc4)cc3c2)cc1[S+]([O-])CC(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.38
CYP11B2 P19099 2/20 0.32
PTGS2 P35354 1/20 0.32
GRM1 Q13255 1/20 0.32
GRIN2B Q13224 1/20 0.31
CYP11B1 P15538 1/20 0.31

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
SCHEMBL17802504 0.93 TLR8 (0.39) TLR8CYP11B2PTGS2GRM1
SCHEMBL17802454 0.89 TLR8 (0.39) TLR8CYP11B2PTGS2GRM1GRIN2B
SCHEMBL17803444 0.87 TLR8 (0.37) TLR8GRIN2B
SCHEMBL17802469 0.81 TLR8 (0.39) TLR8CYP11B2PTGS2GRM1GRIN2B
SCHEMBL17803436 0.79 TLR8 (0.38) TLR8CYP11B2PTGS2GRM1GRIN2B
SCHEMBL17801780 0.77 NPC1 (0.41) CYP11B2PTGS2
SCHEMBL17811799 0.76 BRAF (0.42)
SCHEMBL17802467 0.73 TLR8 (0.40) TLR8CYP11B2PTGS2GRM1CYP11B1
SCHEMBL19327178 0.73 TP53 (0.34) TLR8PTGS2GRM1GRIN2B
SCHEMBL17802477 0.72 TLR8 (0.39) TLR8CYP11B2PTGS2GRM1GRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107207466-B Bicyclic compounds as pest control agents 拜耳作物科学股份公司 2020-09-08 CN disclosed
US-10131649-B2 Bicyclic compounds as pest control agents BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-11-20 US disclosed
US-20170327487-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-11-16 US disclosed
US-20170327487-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-11-16 US disclosed
US-20170327487-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-11-16 US disclosed
EP-3227274-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS Bayer CropScience Aktiengesellschaft (DE) 2017-10-11 EP disclosed
WO-2016087421-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-06-09 WO disclosed
WO-2016087421-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-06-09 WO 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 (2 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-10131649-B2 Bicyclic compounds as pest control agents DDT, BCHE, BAK1 TLR8 1803/4885CYP11B2 511/4885PTGS2 2448/4885
US-20170327487-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS DDT, BCHE, BAK1 TLR8 1803/4885CYP11B2 511/4885PTGS2 2448/4885

“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.