SCHEMBL17801290

SCHEMBL17801290

FC(F)(F)c1ccc(-c2nccs2)cn1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.50
PDPK1 O15530 1/20 0.47
LOXL2 Q9Y4K0 1/20 0.46
CASP3 P42574 1/20 0.46
TRPV4 Q9HBA0 1/20 0.44
ADRB2 P07550 2/20 0.43
PIK3CA P42336 2/20 0.41
PI4KB Q9UBF8 2/20 0.41
PIK3CD O00329 1/20 0.41
PIK3CB P42338 1/20 0.41
PI4KA P42356 1/20 0.41
PIK3CG P48736 1/20 0.41
CHEK2 O96017 1/20 0.39
KCNH2 Q12809 2/20 0.37
MAP4K4 O95819 1/20 0.37
MINK1 Q8N4C8 1/20 0.37
SYK P43405 1/20 0.37
PDE10A Q9Y233 1/20 0.35
TRPV3 Q8NET8 1/20 0.35

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
SCHEMBL468053 0.77 PDPK1 (0.57) CYP2A6PDPK1LOXL2ADRB2SYK
SCHEMBL14814093 0.77 CYP2A6 (0.55) CYP2A6PDPK1LOXL2ADRB2CHEK2
SCHEMBL19396075 0.77 PDPK1 (0.47) CYP2A6PDPK1LOXL2ADRB2CHEK2
SCHEMBL18670140 0.75 TRPV4 (0.43) CASP3TRPV4PIK3CAPI4KBPIK3CD
SCHEMBL722198 0.74 PDPK1 (0.77) CYP2A6PDPK1LOXL2ADRB2CHEK2
SCHEMBL23832336 0.73 CYP2A6 (0.55) CYP2A6PDPK1LOXL2CASP3ADRB2
SCHEMBL30088436 0.73 CYP2A6 (0.55) CYP2A6PDPK1LOXL2CASP3ADRB2
SCHEMBL29462092 0.73 CYP2A6 (0.59) CYP2A6PDPK1LOXL2ADRB2CHEK2
SCHEMBL12490013 0.73 CYP2A6 (0.59) CYP2A6PDPK1LOXL2ADRB2CHEK2
SCHEMBL4021798 0.73 LOXL2 (0.55) CYP2A6PDPK1LOXL2ADRB2PIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10736320-B2 Pesticidally active polycyclic derivatives with 5-membered sulfur containing heterocyclic ring systems SYNGENTA PARTICIPATIONS AG (CH) 2020-08-11 US disclosed
US-20180213784-A1 PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH 5-MEMBERED SULFUR CONTAINING HETEROCYCLIC RING SYSTEMS SYNGENTA PARTICIPATIONS AG (CH) 2018-08-02 US disclosed
EP-3227301-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS Bayer CropScience AG (DE) 2017-10-11 EP disclosed
EP-2970242-B1 3-PYRIMIDIN-4-YL-OXAZOLIDIN-2-ONES AS INHIBITORS OF MUTANT IDH NOVARTIS AG (CH) 2017-09-06 EP disclosed
WO-2016087417-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-20180213784-A1 PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH 5-MEMBERED SULFUR CONTAINING HETEROCYCLIC RING SYSTEMS DDT, TST, GSS CYP2A6 1271/4885PDPK1 2899/4885LOXL2 3862/4885
US-10736320-B2 Pesticidally active polycyclic derivatives with 5-membered sulfur containing heterocyclic ring systems DDT, TST, GSS CYP2A6 1271/4885PDPK1 2899/4885LOXL2 3862/4885

“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.