SCHEMBL19366944

SCHEMBL19366944

CCS(=O)(=O)c1cc(-c2ncc(C(F)(F)F)cc2F)cnc1-c1nc2cc(C(F)(F)F)ncc2n1C

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.35
▸ ALOX5AP P20292 1/20 0.35
▸ FEN1 P39748 1/20 0.35
▸ PTGS2 P35354 8/20 0.33
▸ PTGS1 P23219 4/20 0.33
▸ JAK2 O60674 1/20 0.32
▸ JAK1 P23458 1/20 0.32
▸ TYK2 P29597 1/20 0.32
▸ JAK3 P52333 1/20 0.32
▸ RORC P51449 3/20 0.32
▸ DDR1 Q08345 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ CYP11B1 P15538 1/20 0.31
▸ CYP11B2 P19099 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
SCHEMBL19366923 0.92 KCNH2 (0.36) KCNH2ALOX5APFEN1PTGS2PTGS1
SCHEMBL17018436 0.91 POLB (0.35) KCNH2JAK2JAK1TYK2JAK3
SCHEMBL19366914 0.90 KCNH2 (0.34) KCNH2ALOX5APFEN1PTGS2PTGS1
SCHEMBL19366956 0.89 KCNH2 (0.34) KCNH2ALOX5APFEN1PTGS2PTGS1
SCHEMBL19366954 0.89 GRIN2B (0.36) KCNH2PTGS2PTGS1RORCDDR1
SCHEMBL17432135 0.88 RORC (0.39) KCNH2ALOX5APFEN1PTGS2PTGS1
SCHEMBL19366912 0.87 KCNH2 (0.36) KCNH2ALOX5APFEN1PTGS2PTGS1
SCHEMBL17432152 0.87 KCNH2 (0.35) KCNH2ALOX5APFEN1PTGS2PTGS1
SCHEMBL18926498 0.87 GRIN2B (0.34) KCNH2PTGS2PTGS1RORC
SCHEMBL18926499 0.86 KCNH2 (0.38) KCNH2PTGS2PTGS1RORC

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-9809587-B2 Pesticidally active heterocyclic derivatives with sulphur containing substituents SYNGENTA PARTICIPATIONS AG (CH) 2017-11-07 — — US disclosed
US-9809587-B2 Pesticidally active heterocyclic derivatives with sulphur containing substituents SYNGENTA PARTICIPATIONS AG (CH) 2017-11-07 — — US disclosed
US-20170267672-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2017-09-21 — — US disclosed
US-20170267672-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2017-09-21 — — 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 (1 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-20170267672-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS DDT, ACHE, GSTM1 KCNH2 1460/4885ALOX5AP 2488/4885FEN1 3487/4885

“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.

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