SCHEMBL19366953

SCHEMBL19366953

CCS(=O)(=O)c1cc(-c2ccc(C#N)nc2)cnc1-c1nc2cc(C(F)(F)F)ncc2n1C

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 2/20 0.42
▸ KCNH2 Q12809 1/20 0.35
▸ DGAT1 O75907 1/20 0.35
▸ ALOX5AP P20292 6/20 0.33
▸ GRIN2B Q13224 1/20 0.33
▸ ELANE P08246 2/20 0.32
▸ CCR6 P51684 1/20 0.32
▸ PTGS2 P35354 1/20 0.32
▸ MET P08581 1/20 0.32
▸ LGMN Q99538 1/20 0.32
▸ CA12 O43570 1/20 0.31
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ CA9 Q16790 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
SCHEMBL19366988 0.91 S1PR1 (0.36) S1PR1KCNH2ALOX5APGRIN2BELANE
SCHEMBL18926512 0.90 S1PR1 (0.42) S1PR1KCNH2ALOX5APELANE
SCHEMBL19366898 0.90 KCNH2 (0.43) KCNH2PTGS2CA12CA1CA2
SCHEMBL19366990 0.87 S1PR1 (0.36) S1PR1KCNH2ALOX5APELANEPTGS2
SCHEMBL19366952 0.87 CTSS (0.39) S1PR1KCNH2GRIN2BELANEPTGS2
SCHEMBL17432172 0.87 KCNH2 (0.45) KCNH2PTGS2CA12CA1CA2
SCHEMBL18926510 0.87 USP1 (0.35) S1PR1KCNH2PTGS2LGMNCA12
SCHEMBL19366984 0.87 MEN1 (0.40) KCNH2PTGS2CA12CA1CA2
SCHEMBL18926499 0.87 KCNH2 (0.38) KCNH2GRIN2BPTGS2CA12CA1
SCHEMBL17432135 0.87 RORC (0.39) KCNH2ALOX5APGRIN2BPTGS2CA12

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 S1PR1 2522/4885KCNH2 1460/4885DGAT1 2371/4885

“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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