SCHEMBL20325638

SCHEMBL20325638

CCS(=O)(=O)c1cc(-c2cc(F)cc(F)c2)cnc1-n1cc2ccc(C(F)(F)F)cc2n1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DDR1 Q08345 12/20 0.42
GRIN2B Q13224 5/20 0.36
PTGS1 P23219 1/20 0.34
ALOX5AP P20292 2/20 0.33
FEN1 P39748 2/20 0.33

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
SCHEMBL20326611 0.93 DDR1 (0.41) DDR1GRIN2BPTGS1
SCHEMBL20325639 0.86 GRIN2B (0.37) DDR1GRIN2BPTGS1
SCHEMBL30989723 0.84 DGAT1 (0.37) DDR1GRIN2BALOX5APFEN1
SCHEMBL25885577 0.84 DGAT1 (0.37) DDR1GRIN2BALOX5APFEN1
SCHEMBL20326612 0.81 GRIN2B (0.39) DDR1GRIN2BPTGS1
SCHEMBL16648948 0.76 DDR1 (0.47) DDR1
SCHEMBL16870923 0.76 DDR1 (0.41) DDR1
SCHEMBL17504805 0.76 USP1 (0.37) DDR1PTGS1
SCHEMBL23013671 0.76 DDR1 (0.58) DDR1
SCHEMBL23013958 0.75 DDR1 (0.44) DDR1ALOX5APFEN1

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 DDR1 4516/4885GRIN2B 792/4885PTGS1 425/4885
US-20200253210-A1 Pesticidally Active Heterocyclic Derivatives With Sulphur Containing Substituents DDT, ACHE, GSTM1 DDR1 4516/4885GRIN2B 792/4885PTGS1 425/4885
US-20190320657-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS DDT, ACHE, GSTM1 DDR1 4516/4885GRIN2B 792/4885PTGS1 425/4885

“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.