SCHEMBL20547490

SCHEMBL20547490

CCS(=O)(=O)c1cc(O)cnc1-c1nc2cc(C(F)(F)F)ncc2n1C

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.33
KCNH2 Q12809 1/20 0.32
RORC P51449 4/20 0.32
DDR1 Q08345 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
ACSS2 Q9NR19 1/20 0.31
LMNA P02545 2/20 0.31
HTT P42858 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
S1PR1 P21453 1/20 0.31
EGLN1 Q9GZT9 1/20 0.30
LRRK2 Q5S007 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30
HPGD P15428 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
SCHEMBL30958294 1.00 CNR2 (0.33) CNR2KCNH2RORCDDR1NPC1
SCHEMBL17018436 0.88 POLB (0.35) CNR2KCNH2RORCDDR1NPC1
SCHEMBL17422452 0.88 PTGS2 (0.33) CNR2KCNH2RORCDDR1NPC1
SCHEMBL30958306 0.88 PTGS2 (0.33) CNR2KCNH2RORCDDR1NPC1
SCHEMBL22683359 0.88 DDR1 (0.35) CNR2KCNH2RORCDDR1NPC1
SCHEMBL17832758 0.88 KCNH2 (0.36) CNR2KCNH2RORCNPC1RAB9A
SCHEMBL30958298 0.88 DDR1 (0.35) CNR2KCNH2RORCDDR1NPC1
SCHEMBL21750116 0.87 EGLN1 (0.38) RORCDDR1EGLN1
SCHEMBL18926516 0.87 CNR2 (0.32) CNR2KCNH2RORC
SCHEMBL17553617 0.87 RORC (0.33) CNR2KCNH2RORCDDR1ACSS2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210047291-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2021-02-18 US disclosed
US-20200216441-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2020-07-09 US disclosed
US-20200216441-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2020-07-09 US disclosed
EP-3615531-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS Syngenta Participations AG (CH) 2020-03-04 EP disclosed
WO-2018197315-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2018-11-01 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 (2 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-20200216441-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS DDT, ACHE, SQOR CNR2 2169/4885KCNH2 2223/4885RORC 2525/4885
US-20210047291-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS DDT, AADAC, ACAA2 CNR2 1438/4885KCNH2 3547/4885RORC 2731/4885

“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.