SCHEMBL20482178

SCHEMBL20482178

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

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 2/20 0.34
▸ RORC P51449 1/20 0.32
▸ USP1 O94782 1/20 0.31
▸ CNR2 P34972 1/20 0.31
▸ KCNH2 Q12809 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
SCHEMBL29482594 1.00 S1PR1 (0.34) S1PR1RORCUSP1CNR2KCNH2
SCHEMBL18926510 0.89 USP1 (0.35) S1PR1RORCUSP1KCNH2
SCHEMBL18926508 0.87 TGFBR1 (0.35) S1PR1USP1KCNH2
SCHEMBL29482592 0.86 USP1 (0.32) USP1
SCHEMBL17514100 0.86 USP1 (0.35) S1PR1RORCUSP1CNR2
SCHEMBL24313900 0.86 S1PR1 (0.34) S1PR1CNR2KCNH2
SCHEMBL29904267 0.86 S1PR1 (0.34) S1PR1CNR2KCNH2
SCHEMBL22189299 0.85 S1PR1 (0.33) S1PR1CNR2
SCHEMBL24313969 0.85 S1PR1 (0.34) S1PR1CNR2KCNH2
SCHEMBL24314118 0.85 S1PR1 (0.34) S1PR1RORCCNR2KCNH2

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-11440910-B2 Pesticidally active heterocyclic derivatives with sulfur containing substituents SYNGENTA PARTICIPATIONS AG (CH) 2022-09-13 — — US disclosed
EP-3585770-B1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2022-03-23 — — EP disclosed
EP-3585770-B1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2022-03-23 — — EP disclosed
WO-2018153778-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2018-08-30 — — 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-11440910-B2 Pesticidally active heterocyclic derivatives with sulfur containing substituents DDT, ACHE, SQOR S1PR1 3148/4885RORC 2377/4885USP1 1486/4885

“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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