SCHEMBL17432166

SCHEMBL17432166

CCS(=O)(=O)c1cc(-c2ccc(C(F)(F)F)cc2)ccc1-c1nc2cc(C(F)(F)F)ncc2n1C

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RORC P51449 7/20 0.37
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
TYK2 P29597 1/20 0.37
JAK3 P52333 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
NR1H2 P55055 2/20 0.36
RXRA P19793 1/20 0.36
NR1H3 Q13133 1/20 0.36
PTGS2 P35354 4/20 0.36
PTGS1 P23219 2/20 0.36
USP1 O94782 1/20 0.34
KCNH2 Q12809 1/20 0.34
DDR1 Q08345 1/20 0.34

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
SCHEMBL17494853 0.92 DDR1 (0.38) RORCDDR1
SCHEMBL17432175 0.91 PTGS2 (0.39) CA12CA1CA2CA9NR1H2
SCHEMBL18926507 0.91 JAK2 (0.37) RORCJAK2JAK1TYK2JAK3
SCHEMBL17530258 0.88 RORC (0.35) RORCDDR1
SCHEMBL17432135 0.88 RORC (0.39) RORCJAK2JAK1TYK2JAK3
SCHEMBL19366976 0.88 USP1 (0.37) CA12CA1CA2CA9PTGS2
SCHEMBL17494868 0.85 DDR1 (0.37) CA12CA1CA2CA9PTGS2
SCHEMBL21925099 0.85 DDR1 (0.40) DDR1
SCHEMBL20547541 0.85 CNR2 (0.34) RORCJAK2JAK1TYK2JAK3
SCHEMBL17824513 0.85 CA12 (0.36) CA12CA1CA2CA9PTGS2

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-20170354151-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2017-12-14 US disclosed
US-9775353-B2 Pesticidally active heterocyclic derivatives with sulphur containing substituents SYNGENTA PARTICIPATIONS AG (CH) 2017-10-03 US disclosed
US-20170156329-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2017-06-08 US disclosed
WO-2016005263-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2016-01-14 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-20170156329-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS DDT, ACHE, GSTM1 RORC 2062/4885JAK2 4444/4885JAK1 4390/4885
US-20170354151-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS DDT, ACHE, GSTM1 RORC 2103/4885JAK2 4465/4885JAK1 4254/4885

“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.