SCHEMBL22189643

SCHEMBL22189643

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

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 1/20 0.33
▸ DDR1 Q08345 3/20 0.33
▸ S1PR1 P21453 2/20 0.31
▸ CA12 O43570 1/20 0.30
▸ CA1 P00915 1/20 0.30
▸ CA2 P00918 1/20 0.30
▸ CA9 Q16790 1/20 0.30
▸ PTGDR2 Q9Y5Y4 1/20 0.30
▸ PDE5A O76074 1/20 0.30
▸ PDE2A O00408 1/20 0.30
▸ USP1 O94782 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
SCHEMBL22189269 0.91 CNR2 (0.35) CNR2DDR1S1PR1CA12CA1
SCHEMBL20547579 0.87 CNR2 (0.34) CNR2DDR1S1PR1CA12CA1
SCHEMBL22189274 0.86 CNR2 (0.32) CNR2
SCHEMBL22189300 0.86 PTGDR2 (0.33) CNR2DDR1CA12CA1CA2
SCHEMBL20547494 0.85 CNR2 (0.34) CNR2S1PR1CA12CA1CA2
SCHEMBL22189517 0.85 S1PR1 (0.35) CNR2S1PR1CA12CA1CA2
SCHEMBL20547523 0.85 CNR2 (0.34) CNR2S1PR1CA12CA1CA2
SCHEMBL22189306 0.85 PTGES (0.34) CNR2S1PR1CA12CA1CA2
SCHEMBL17494868 0.84 DDR1 (0.37) CNR2DDR1S1PR1CA12CA1
SCHEMBL30958299 0.84 DDR1 (0.37) CNR2DDR1S1PR1CA12CA1

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 2 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

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 2169/4885DDR1 4488/4885S1PR1 3002/4885

“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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