SCHEMBL17844096

SCHEMBL17844096

CCS(=O)(=O)c1cc(C2(C#N)CC2)cnc1-c1nc2cc(C(F)(F)F)cnc2n1C

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.39
▸ TRPM8 Q7Z2W7 1/20 0.34
▸ DDR1 Q08345 1/20 0.32
▸ TNF P01375 1/20 0.31
▸ ALDH1A1 P00352 2/20 0.30
▸ LRRK2 Q5S007 1/20 0.30
▸ KCNH2 Q12809 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
SCHEMBL29904936 1.00 POLB (0.39) POLBTRPM8DDR1TNFALDH1A1
SCHEMBL17858042 0.97 POLB (0.38) POLBTRPM8DDR1TNFALDH1A1
SCHEMBL17609373 0.96 POLB (0.37) POLBTRPM8DDR1TNFALDH1A1
SCHEMBL17609372 0.93 POLB (0.36) POLBTRPM8DDR1TNFALDH1A1
SCHEMBL24696189 0.91 POLB (0.38) POLBTRPM8TNF
SCHEMBL30122145 0.91 POLB (0.38) POLBTRPM8TNF
SCHEMBL30401655 0.91 POLB (0.38) POLBTRPM8TNF
SCHEMBL21586201 0.91 POLB (0.38) POLBTRPM8TNF
SCHEMBL29748523 0.87 — —
SCHEMBL17844106 0.87 — —

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 22 patents — showing the first 20. 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-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-11072608-B2 Pesticidally active heterocyclic derivatives with sulphur containing substituents SYNGENTA PARTICIPATIONS AG (CH) 2021-07-27 — — US disclosed
CN-107207460-B Fused heterocyclic compound having cycloalkylpyridyl group or salt thereof, agricultural and horticultural insecticide containing the same, and method for using the same 日本农药株式会社 2020-09-15 — — CN disclosed
EP-3233851-B1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2020-05-27 — — EP disclosed
EP-3233851-B1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2020-05-27 — — EP disclosed
EP-3252046-B1 FUSED HETEROCYCLIC COMPOUND HAVING CYCLOALKYLPYRIDYL GROUP OR SALT THEREOF, AND AGRICULTURAL OR HORTICULTURAL INSECTICIDE CONTAINING SAID COMPOUND AND USE METHOD THEREFOR NIHON NOHYAKU CO LTD (JP) 2020-04-01 — — EP disclosed
US-20190308971-A1 PESTICIDALLY ACTIVE HETROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2019-10-10 — — US disclosed
US-20190308971-A1 PESTICIDALLY ACTIVE HETROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2019-10-10 — — US disclosed
US-10266552-B2 Condensed heterocyclic compound having cycloalkylpyridyl group or salt thereof, agricultural and horticultural insecticide comprising the compound, and method for using the insecticide NIHON NOHYAKU CO., LTD. (JP) 2019-04-23 — — US disclosed
US-20180002347-A1 CONDENSED HETEROCYCLIC COMPOUND HAVING CYCLOALKYLPYRIDYL GROUP OR SALT THEREOF, AGRICULTURAL AND HORTICULTURAL INSECTICIDE COMPRISING THE COMPOUND, AND METHOD FOR USING THE INSECTICIDE NIHON NOHYAKU CO., LTD. (JP) 2018-01-04 — — US disclosed
EP-3252046-A1 FUSED HETEROCYCLIC COMPOUND HAVING CYCLOALKYLPYRIDYL GROUP OR SALT THEREOF, AND AGRICULTURAL OR HORTICULTURAL INSECTICIDE CONTAINING SAID COMPOUND AND USE METHOD THEREFOR Nihon Nohyaku Co., Ltd. (JP) 2017-12-06 — — EP 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
US-20170342065-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2017-11-30 — — US disclosed
EP-3233851-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS Syngenta Participations AG (CH) 2017-10-25 — — EP disclosed
WO-2016121997-A1 FUSED HETEROCYCLIC COMPOUND HAVING CYCLOALKYLPYRIDYL GROUP OR SALT THEREOF, AND AGRICULTURAL OR HORTICULTURAL INSECTICIDE CONTAINING SAID COMPOUND AND USE METHOD THEREFOR 日本農薬株式会社 2016-08-04 — — WO disclosed
WO-2016096584-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2016-06-23 — — WO 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 (6 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 4235/4885TRPM8 870/4885DDR1 4364/4885
US-20210317119-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS DDT, ACHE, GSTM1 POLB 4395/4885TRPM8 665/4885DDR1 4471/4885
US-20170342065-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS DDT, ACHE, GSTM1 POLB 4325/4885TRPM8 703/4885DDR1 4555/4885
US-20180002347-A1 CONDENSED HETEROCYCLIC COMPOUND HAVING CYCLOALKYLPYRIDYL GROUP OR SALT THEREOF, AGRICULTURAL AND HORTICULTURAL INSECTICIDE COMPRISING THE COMPOUND, AND METHOD FOR USING THE INSECTICIDE DDT, HCN3, HCN1 POLB 3724/4885TRPM8 885/4885DDR1 3696/4885
US-20190308971-A1 PESTICIDALLY ACTIVE HETROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS DDT, GSTO1, GSTM1 POLB 4410/4885TRPM8 671/4885DDR1 4274/4885
US-10266552-B2 Condensed heterocyclic compound having cycloalkylpyridyl group or salt thereof, agricultural and horticultural insecticide comprising the compound, and method for using the insecticide DDT, HCN3, HCN1 POLB 3724/4885TRPM8 885/4885DDR1 3696/4885

“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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