SCHEMBL17844036

SCHEMBL17844036

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

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.43
▸ LPAR1 Q92633 1/20 0.33
▸ LPAR3 Q9UBY5 1/20 0.33
▸ AGBL2 Q5U5Z8 1/20 0.32
▸ SCN10A Q9Y5Y9 1/20 0.32
▸ EGLN1 Q9GZT9 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ AKR1C3 P42330 1/20 0.31
▸ AKR1C2 P52895 1/20 0.31
▸ AKR1C1 Q04828 1/20 0.31
▸ APP P05067 1/20 0.31
▸ RXRA P19793 1/20 0.30
▸ LRRK2 Q5S007 1/20 0.30
▸ BTK Q06187 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
SCHEMBL17844159 0.92 POLB (0.42) POLBMEN1KMT2A
SCHEMBL17986792 0.91 POLB (0.43) POLBSCN10AMEN1KMT2AALDH1A1
SCHEMBL29360277 0.85 POLB (0.48) POLBAGBL2EGLN1MEN1KMT2A
SCHEMBL14684583 0.85 POLB (0.48) POLBAGBL2EGLN1MEN1KMT2A
SCHEMBL22038218 0.84 POLB (0.47) POLBLPAR1LPAR3AGBL2EGLN1
SCHEMBL17844096 0.84 POLB (0.39) POLBALDH1A1LRRK2
SCHEMBL29904936 0.84 POLB (0.39) POLBALDH1A1LRRK2
SCHEMBL15947510 0.83 POLB (0.47) POLBAGBL2EGLN1MEN1KMT2A
SCHEMBL17858006 0.83 POLB (0.42) POLBLPAR1LPAR3AGBL2MEN1
SCHEMBL17858042 0.83 POLB (0.38) POLBALDH1A1

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 16 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-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
EP-3233851-B1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2020-05-27 — — 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-10323030-B2 Pesticidally active heterocyclic derivatives with sulphur containing substituents SYNGENTA PARTICIPATIONS AG (CH) 2019-06-18 — — 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
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 (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 4235/4885LPAR1 3996/4885LPAR3 4279/4885
US-20210317119-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS DDT, ACHE, GSTM1 POLB 4395/4885LPAR1 4118/4885LPAR3 4351/4885
US-10323030-B2 Pesticidally active heterocyclic derivatives with sulphur containing substituents DDT, ACHE, GSTM1 POLB 4378/4885LPAR1 4202/4885LPAR3 4289/4885
US-20170342065-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS DDT, ACHE, GSTM1 POLB 4325/4885LPAR1 3917/4885LPAR3 4027/4885
US-20190308971-A1 PESTICIDALLY ACTIVE HETROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS DDT, GSTO1, GSTM1 POLB 4410/4885LPAR1 2693/4885LPAR3 3241/4885

“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