SCHEMBL22189359

SCHEMBL22189359

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

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 1/20 0.32
▸ LRRK2 Q5S007 1/20 0.32
▸ KCNH2 Q12809 1/20 0.30
▸ CRHR1 P34998 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
SCHEMBL22189420 0.92 CNR2 (0.34) CNR2LRRK2
SCHEMBL22189584 0.91 MAPT (0.35) CNR2LRRK2KCNH2
SCHEMBL22189629 0.91 PTGS2 (0.35) CNR2LRRK2KCNH2
SCHEMBL22189256 0.90 CNR2 (0.33) CNR2LRRK2KCNH2
SCHEMBL22189603 0.90 CNR2 (0.33) CNR2LRRK2KCNH2
SCHEMBL22189474 0.90 CNR2 (0.33) CNR2LRRK2KCNH2
SCHEMBL22189512 0.89 CNR2 (0.34) CNR2LRRK2KCNH2
SCHEMBL22189289 0.89 CNR2 (0.34) CNR2LRRK2KCNH2
SCHEMBL22189265 0.89 CNR2 (0.32) CNR2LRRK2KCNH2
SCHEMBL20547555 0.89 CNR2 (0.33) CNR2LRRK2KCNH2

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 2169/4885LRRK2 449/4885KCNH2 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.

Send feedback