SCHEMBL17858042

SCHEMBL17858042

CCS(=O)(=O)c1cc(C2(C#N)CCC2)cnc1-c1nc2cc(C(F)(F)F)cnc2n1C

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.32
▸ TRPM8 Q7Z2W7 1/20 0.32
▸ DDR1 Q08345 1/20 0.31
▸ TNF P01375 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
SCHEMBL17609372 0.97 POLB (0.36) POLBALDH1A1TRPM8DDR1TNF
SCHEMBL29904936 0.97 POLB (0.39) POLBALDH1A1TRPM8DDR1TNF
SCHEMBL17844096 0.97 POLB (0.39) POLBALDH1A1TRPM8DDR1TNF
SCHEMBL17609373 0.93 POLB (0.37) POLBALDH1A1TRPM8DDR1TNF
SCHEMBL24696189 0.88 POLB (0.38) POLBTRPM8TNF
SCHEMBL21586201 0.88 POLB (0.38) POLBTRPM8TNF
SCHEMBL30122145 0.88 POLB (0.38) POLBTRPM8TNF
SCHEMBL30401655 0.88 POLB (0.38) POLBTRPM8TNF
SCHEMBL29748523 0.84 — —
SCHEMBL17844106 0.84 — —

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-20210317119-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2021-10-14 — — US disclosed
US-11072608-B2 Pesticidally active heterocyclic derivatives with sulphur containing substituents SYNGENTA PARTICIPATIONS AG (CH) 2021-07-27 — — US disclosed
US-20190308971-A1 PESTICIDALLY ACTIVE HETROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2019-10-10 — — US disclosed
US-10323030-B2 Pesticidally active heterocyclic derivatives with sulphur containing substituents SYNGENTA PARTICIPATIONS AG (CH) 2019-06-18 — — US disclosed
US-20170342065-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2017-11-30 — — US disclosed
US-20170342065-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2017-11-30 — — US disclosed
WO-2016096584-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2016-06-23 — — 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 (5 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-11072608-B2 Pesticidally active heterocyclic derivatives with sulphur containing substituents DDT, ACHE, GSTM1 POLB 4235/4885ALDH1A1 242/4885TRPM8 870/4885
US-20210317119-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS DDT, ACHE, GSTM1 POLB 4395/4885ALDH1A1 379/4885TRPM8 665/4885
US-10323030-B2 Pesticidally active heterocyclic derivatives with sulphur containing substituents DDT, ACHE, GSTM1 POLB 4378/4885ALDH1A1 417/4885TRPM8 647/4885
US-20170342065-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS DDT, ACHE, GSTM1 POLB 4325/4885ALDH1A1 316/4885TRPM8 703/4885
US-20190308971-A1 PESTICIDALLY ACTIVE HETROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS DDT, GSTO1, GSTM1 POLB 4410/4885ALDH1A1 490/4885TRPM8 671/4885

“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.

Send feedback