SCHEMBL16389589

SCHEMBL16389589

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

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 1/20 0.32
▸ S1PR1 P21453 3/20 0.32
▸ LMNA P02545 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ HDAC6 Q9UBN7 2/20 0.31
▸ KCNH2 Q12809 1/20 0.30
▸ LRRK2 Q5S007 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
SCHEMBL22189282 0.94 S1PR1 (0.33) CNR2S1PR1LMNAHPGDHTT
SCHEMBL22189501 0.93 S1PR1 (0.34) CNR2S1PR1KCNH2LRRK2
SCHEMBL20547504 0.91 CNR2 (0.32) CNR2S1PR1
SCHEMBL22189327 0.90 CNR2 (0.32) CNR2S1PR1LMNAHPGDHTT
SCHEMBL22189584 0.89 MAPT (0.35) CNR2S1PR1LMNAHTTKCNH2
SCHEMBL22189629 0.89 PTGS2 (0.35) CNR2S1PR1LMNAHTTKCNH2
SCHEMBL22189646 0.89 CNR2 (0.32) CNR2LMNAHPGDHTT
SCHEMBL22189256 0.89 CNR2 (0.33) CNR2KCNH2LRRK2
SCHEMBL22189259 0.89 CNR2 (0.35) CNR2KCNH2LRRK2
SCHEMBL22189295 0.89 CNR2 (0.33) CNR2KCNH2LRRK2

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220104496-A1 PESTICIDALLY ACTIVE BI- OR TRICYCLIC HETEROCYCLES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2022-04-07 — — US disclosed
US-11229208-B2 Pesticidally active bi- or tricyclic heterocycles with sulfur containing substituents SYNGENTA PARTICIPATIONS AG (CH) 2022-01-25 — — US disclosed
US-11229208-B2 Pesticidally active bi- or tricyclic heterocycles with sulfur containing substituents SYNGENTA PARTICIPATIONS AG (CH) 2022-01-25 — — US disclosed
US-10939682-B2 Pesticidally active bi- or tricyclic heterocycles with sulfur containing substituents SYNGENTA PARTICIPATIONS AG (CH) 2021-03-09 — — US disclosed
US-10939682-B2 Pesticidally active bi- or tricyclic heterocycles with sulfur containing substituents SYNGENTA PARTICIPATIONS AG (CH) 2021-03-09 — — US disclosed
EP-3778598-A2 PESTICIDALLY ACTIVE BI- OR TRICYCLIC HETEROCYCLES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2021-02-17 — — EP disclosed
EP-3778599-A2 PESTICIDALLY ACTIVE BI- OR TRICYCLIC HETEROCYCLES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2021-02-17 — — EP disclosed
EP-3778599-A2 PESTICIDALLY ACTIVE BI- OR TRICYCLIC HETEROCYCLES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2021-02-17 — — EP disclosed
EP-3778598-A2 PESTICIDALLY ACTIVE BI- OR TRICYCLIC HETEROCYCLES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2021-02-17 — — EP disclosed
US-20210037827-A1 PESTICIDALLY ACTIVE BI- OR TRICYCLIC HETEROCYCLES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2021-02-11 — — US disclosed
US-20210037827-A1 PESTICIDALLY ACTIVE BI- OR TRICYCLIC HETEROCYCLES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2021-02-11 — — US disclosed
EP-3016949-B1 PESTICIDALLY ACTIVE BI- OR TRICYCLIC HETEROCYCLES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2020-05-13 — — EP disclosed
EP-3016949-B1 PESTICIDALLY ACTIVE BI- OR TRICYCLIC HETEROCYCLES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2020-05-13 — — EP disclosed
US-20160255837-A1 PESTICIDALLY ACTIVE BI- OR TRICYCLIC HETEROCYCLES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2016-09-08 — — US disclosed
US-20160255837-A1 PESTICIDALLY ACTIVE BI- OR TRICYCLIC HETEROCYCLES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2016-09-08 — — US disclosed
US-20160255837-A1 PESTICIDALLY ACTIVE BI- OR TRICYCLIC HETEROCYCLES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2016-09-08 — — US disclosed
WO-2015000715-A1 PESTICIDALLY ACTIVE BI- OR TRICYCLIC HETEROCYCLES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2015-01-08 — — 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 (5 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-20220104496-A1 PESTICIDALLY ACTIVE BI- OR TRICYCLIC HETEROCYCLES WITH SULFUR CONTAINING SUBSTITUENTS GSTA1, CYP1B1, DDT CNR2 2386/4885S1PR1 1494/4885LMNA 2366/4885
US-20160255837-A1 PESTICIDALLY ACTIVE BI- OR TRICYCLIC HETEROCYCLES WITH SULFUR CONTAINING SUBSTITUENTS DDT, TST, SCLY CNR2 1457/4885S1PR1 3250/4885LMNA 4668/4885
US-20210037827-A1 PESTICIDALLY ACTIVE BI- OR TRICYCLIC HETEROCYCLES WITH SULFUR CONTAINING SUBSTITUENTS GSTA1, CYP1B1, DDT CNR2 2386/4885S1PR1 1494/4885LMNA 2366/4885
US-10939682-B2 Pesticidally active bi- or tricyclic heterocycles with sulfur containing substituents DDT, TST, SCLY CNR2 1457/4885S1PR1 3250/4885LMNA 4668/4885
US-11229208-B2 Pesticidally active bi- or tricyclic heterocycles with sulfur containing substituents GSTA1, CYP1B1, DDT CNR2 2386/4885S1PR1 1494/4885LMNA 2366/4885

“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