SCHEMBL17858006

SCHEMBL17858006

CC[S+]([O-])c1cc(C2(C(=O)O)CC2)cnc1-c1nc2cc(C(F)(F)F)cnc2n1C

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.42
▸ RXRA P19793 1/20 0.31
▸ AGBL2 Q5U5Z8 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ LPAR1 Q92633 1/20 0.30
▸ LPAR3 Q9UBY5 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
SCHEMBL17858002 0.92 POLB (0.41) POLBMEN1KMT2A
SCHEMBL22038217 0.85 POLB (0.39) POLB
SCHEMBL22036969 0.84 POLB (0.37) POLB
SCHEMBL31476252 0.84 POLB (0.37) POLB
SCHEMBL31476231 0.84 POLB (0.37) POLB
SCHEMBL22038218 0.83 POLB (0.47) POLBRXRAAGBL2MEN1KMT2A
SCHEMBL17844036 0.83 POLB (0.43) POLBRXRAAGBL2MEN1KMT2A
SCHEMBL22036955 0.82 POLB (0.36) POLB
SCHEMBL15868304 0.81 POLB (0.42) POLBMEN1KMT2A
SCHEMBL14677434 0.80 POLB (0.42) POLBMEN1KMT2A

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 6 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
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-10323030-B2 Pesticidally active heterocyclic derivatives with sulphur containing substituents SYNGENTA PARTICIPATIONS AG (CH) 2019-06-18 — — 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 (4 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 4235/4885RXRA 4320/4885AGBL2 2749/4885
US-20210317119-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS DDT, ACHE, GSTM1 POLB 4395/4885RXRA 4287/4885AGBL2 3033/4885
US-10323030-B2 Pesticidally active heterocyclic derivatives with sulphur containing substituents DDT, ACHE, GSTM1 POLB 4378/4885RXRA 4247/4885AGBL2 2438/4885
US-20190308971-A1 PESTICIDALLY ACTIVE HETROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS DDT, GSTO1, GSTM1 POLB 4410/4885RXRA 3943/4885AGBL2 2800/4885

“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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