SCHEMBL21750109

SCHEMBL21750109

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

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 9/20 0.39
JAK1 P23458 9/20 0.39
TYK2 P29597 9/20 0.39
JAK3 P52333 9/20 0.39
RORC P51449 4/20 0.33
DDR1 Q08345 2/20 0.33
KCNH2 Q12809 1/20 0.32
KMT2A Q03164 1/20 0.32
EGLN1 Q9GZT9 1/20 0.32
PTGER4 P35408 1/20 0.31
CNR2 P34972 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
SCHEMBL30423852 1.00 JAK2 (0.39) JAK2JAK1TYK2JAK3RORC
SCHEMBL21750116 0.91 EGLN1 (0.38) RORCDDR1EGLN1PTGER4
SCHEMBL30423857 0.91 EGLN1 (0.38) RORCDDR1EGLN1PTGER4
SCHEMBL21750126 0.90 DDR1 (0.35) JAK2JAK1TYK2JAK3RORC
SCHEMBL30424023 0.90 DDR1 (0.35) JAK2JAK1TYK2JAK3RORC
SCHEMBL21750102 0.89 RORC (0.35) RORCDDR1PTGER4CNR2
SCHEMBL21750099 0.89 RORC (0.33) JAK2JAK1TYK2JAK3RORC
SCHEMBL21750114 0.88 RORC (0.32) RORCDDR1EGLN1
SCHEMBL17514096 0.88 CNR2 (0.32) JAK2JAK1TYK2JAK3RORC
SCHEMBL21761671 0.87 EGLN1 (0.32) RORCDDR1EGLN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10894792-B2 Pesticidally active heterocyclic derivatives with sulfur containing substituents SYNGENTA PARTICIPATIONS AG (CH) 2021-01-19 US disclosed
US-10894792-B2 Pesticidally active heterocyclic derivatives with sulfur containing substituents SYNGENTA PARTICIPATIONS AG (CH) 2021-01-19 US disclosed
US-20200062755-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (IN) 2020-02-27 US disclosed
US-20200062755-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (IN) 2020-02-27 US 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-20200062755-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS DDT, ACHE, SQOR JAK2 4181/4885JAK1 3960/4885TYK2 4086/4885
US-10894792-B2 Pesticidally active heterocyclic derivatives with sulfur containing substituents DDT, ACHE, SQOR JAK2 4181/4885JAK1 3960/4885TYK2 4086/4885

“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.