SCHEMBL17432152

SCHEMBL17432152

CCS(=O)(=O)c1cc(-c2cc(F)c(F)cc2F)cnc1-c1nc2cc(C(F)(F)F)ncc2n1C

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.35
▸ ALOX5AP P20292 2/20 0.33
▸ FEN1 P39748 2/20 0.33
▸ CYP11B2 P19099 2/20 0.33
▸ CYP11B1 P15538 1/20 0.33
▸ PTGS2 P35354 3/20 0.32
▸ PTGS1 P23219 1/20 0.31
▸ RORC P51449 2/20 0.31
▸ USP1 O94782 1/20 0.31
▸ GRIN1 Q05586 1/20 0.30
▸ GRIN2B Q13224 1/20 0.30
▸ DHODH Q02127 1/20 0.30
▸ CNR2 P34972 1/20 0.30
▸ SCN9A Q15858 1/20 0.30
▸ NR1H2 P55055 1/20 0.30
▸ NR1H3 Q13133 1/20 0.30
▸ DDR1 Q08345 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
SCHEMBL17432148 0.91 KCNH2 (0.36) KCNH2ALOX5APFEN1RORCGRIN1
SCHEMBL17432132 0.91 KCNH2 (0.36) KCNH2ALOX5APFEN1PTGS2PTGS1
SCHEMBL19366923 0.88 KCNH2 (0.36) KCNH2ALOX5APFEN1CYP11B2CYP11B1
SCHEMBL19366973 0.88 KCNH2 (0.35) KCNH2ALOX5APFEN1CYP11B2CYP11B1
SCHEMBL19366944 0.87 KCNH2 (0.35) KCNH2ALOX5APFEN1CYP11B2CYP11B1
SCHEMBL18926498 0.87 GRIN2B (0.34) KCNH2PTGS2PTGS1RORCGRIN1
SCHEMBL18926497 0.86 PTGS2 (0.38) KCNH2ALOX5APFEN1PTGS2PTGS1
SCHEMBL17432153 0.86 DDR1 (0.37) KCNH2ALOX5APFEN1PTGS2PTGS1
SCHEMBL18926499 0.86 KCNH2 (0.38) KCNH2PTGS2PTGS1RORCGRIN1
SCHEMBL19366898 0.86 KCNH2 (0.43) KCNH2PTGS2PTGS1RORCCNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170354151-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2017-12-14 — — US disclosed
US-20170354151-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2017-12-14 — — US disclosed
US-9775353-B2 Pesticidally active heterocyclic derivatives with sulphur containing substituents SYNGENTA PARTICIPATIONS AG (CH) 2017-10-03 — — US disclosed
US-9775353-B2 Pesticidally active heterocyclic derivatives with sulphur containing substituents SYNGENTA PARTICIPATIONS AG (CH) 2017-10-03 — — US disclosed
US-20170156329-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2017-06-08 — — US disclosed
US-20170156329-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2017-06-08 — — US disclosed
WO-2016005263-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2016-01-14 — — 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-20170156329-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS DDT, ACHE, GSTM1 KCNH2 1460/4885ALOX5AP 2488/4885FEN1 3487/4885
US-20170354151-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS DDT, ACHE, GSTM1 KCNH2 1902/4885ALOX5AP 2553/4885FEN1 3238/4885

“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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