SCHEMBL20547494

SCHEMBL20547494

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 1/20 0.34
▸ MAPT P10636 1/20 0.33
▸ KCNH2 Q12809 2/20 0.32
▸ MAP4K4 O95819 1/20 0.31
▸ PIK3CA P42336 1/20 0.31
▸ MINK1 Q8N4C8 1/20 0.31
▸ PI4KB Q9UBF8 1/20 0.31
▸ CA12 O43570 2/20 0.31
▸ CA9 Q16790 2/20 0.31
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ PTGS2 P35354 2/20 0.31
▸ HTT P42858 2/20 0.31
▸ LMNA P02545 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ USP1 O94782 1/20 0.31
▸ S1PR1 P21453 1/20 0.31
▸ NR1H2 P55055 2/20 0.30
▸ NR1H3 Q13133 2/20 0.30
▸ PTGS1 P23219 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
SCHEMBL22189801 0.91 CNR2 (0.35) CNR2MAPTKCNH2MAP4K4PIK3CA
SCHEMBL20547523 0.89 CNR2 (0.34) CNR2MAPTCA12CA9CA1
SCHEMBL22189269 0.89 CNR2 (0.35) CNR2MAPTCA12CA9CA1
SCHEMBL22189306 0.88 PTGES (0.34) CNR2MAPTCA12CA9CA1
SCHEMBL22189517 0.87 S1PR1 (0.35) CNR2CA12CA9CA1CA2
SCHEMBL22189561 0.86 CNR2 (0.34) CNR2MAPTCA12CA9CA1
SCHEMBL22189566 0.86 CNR2 (0.32) CNR2KCNH2
SCHEMBL17824513 0.85 CA12 (0.36) CNR2KCNH2MAP4K4PIK3CAMINK1
SCHEMBL22189643 0.85 CNR2 (0.33) CNR2CA12CA9CA1CA2
SCHEMBL22189255 0.85 S1PR1 (0.33) CNR2CA12CA9CA1CA2

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-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 (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-20200216441-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS DDT, ACHE, SQOR CNR2 2169/4885MAPT 508/4885KCNH2 2223/4885

“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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