SCHEMBL20325639

SCHEMBL20325639

CCS(=O)(=O)c1cc(-c2cc(F)cc(F)c2)cnc1-n1cc2ncc(C(F)(F)F)cc2n1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 9/20 0.37
DDR1 Q08345 5/20 0.37
GRIN1 Q05586 2/20 0.33
PKM P14618 1/20 0.32
SCN10A Q9Y5Y9 1/20 0.31
PTGS2 P35354 1/20 0.31
MAPT P10636 1/20 0.31
PTGS1 P23219 1/20 0.31

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
SCHEMBL20326612 0.92 GRIN2B (0.39) GRIN2BDDR1GRIN1PKMPTGS2
SCHEMBL20325638 0.86 DDR1 (0.42) GRIN2BDDR1PTGS1
SCHEMBL30989744 0.83 PTGS1 (0.35) GRIN2BDDR1GRIN1PKMSCN10A
SCHEMBL25885649 0.83 PTGS1 (0.35) GRIN2BDDR1GRIN1PKMSCN10A
SCHEMBL20326611 0.81 DDR1 (0.41) GRIN2BDDR1GRIN1PTGS2PTGS1
SCHEMBL21761995 0.78 EGLN1 (0.33) DDR1SCN10A
SCHEMBL25885996 0.76
SCHEMBL25887333 0.76 DDR1 (0.34) DDR1
SCHEMBL23014161 0.74 DDR1 (0.35) GRIN2BDDR1GRIN1PKM
SCHEMBL17504810 0.73 DDR1 (0.36) DDR1PKMSCN10AMAPT

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-20200253210-A1 Pesticidally Active Heterocyclic Derivatives With Sulphur Containing Substituents SYNGENTA PARTICIPATIONS AG (CH) 2020-08-13 US disclosed
US-20200253210-A1 Pesticidally Active Heterocyclic Derivatives With Sulphur Containing Substituents SYNGENTA PARTICIPATIONS AG (CH) 2020-08-13 US disclosed
US-10667518-B2 Pesticidally active heterocyclic derivatives with sulphur containing substituents SYNGENTA PARTICIPATIONS AG (CH) 2020-06-02 US disclosed
US-10667518-B2 Pesticidally active heterocyclic derivatives with sulphur containing substituents SYNGENTA PARTICIPATIONS AG (CH) 2020-06-02 US disclosed
US-20190320657-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2019-10-24 US disclosed
US-20190320657-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2019-10-24 US disclosed
WO-2018113900-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2018-06-28 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 (3 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-10667518-B2 Pesticidally active heterocyclic derivatives with sulphur containing substituents DDT, ACHE, GSTM1 GRIN2B 792/4885DDR1 4516/4885GRIN1 457/4885
US-20200253210-A1 Pesticidally Active Heterocyclic Derivatives With Sulphur Containing Substituents DDT, ACHE, GSTM1 GRIN2B 792/4885DDR1 4516/4885GRIN1 457/4885
US-20190320657-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS DDT, ACHE, GSTM1 GRIN2B 792/4885DDR1 4516/4885GRIN1 457/4885

“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.