SCHEMBL16389596

SCHEMBL16389596

CCS(=O)(=O)c1cc(C(F)(F)F)cnc1-c1nc2cc(C(F)(F)F)ncc2o1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ UTRN P46939 4/20 0.35
▸ CYP1A2 P05177 1/20 0.34
▸ AHR P35869 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ PTPN2 P17706 5/20 0.34
▸ PTPN1 P18031 5/20 0.34
▸ PTPN5 P54829 5/20 0.34
▸ HSPD1 P10809 3/20 0.34
▸ HSPE1 P61604 3/20 0.34
▸ KCNH2 Q12809 1/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ DDR1 Q08345 1/20 0.32
▸ ALOX5AP P20292 1/20 0.32
▸ FEN1 P39748 1/20 0.32
▸ PTGS1 P23219 1/20 0.31
▸ PTGS2 P35354 1/20 0.31

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
SCHEMBL17231828 0.84 UTRN (0.43) UTRNCYP1A2AHRHDAC6PTPN2
SCHEMBL15847456 0.83 UTRN (0.43) UTRNCYP1A2AHRHDAC6PTPN2
SCHEMBL29431588 0.83 UTRN (0.43) UTRNCYP1A2AHRHDAC6PTPN2
SCHEMBL20607634 0.83 UTRN (0.40) UTRNCYP1A2AHRHDAC6PTPN2
SCHEMBL17609284 0.83 UTRN (0.40) UTRNCYP1A2AHRHDAC6PTPN2
SCHEMBL17231823 0.82 UTRN (0.39) UTRNCYP1A2AHRHDAC6PTPN2
SCHEMBL29431627 0.81 UTRN (0.38) UTRNCYP1A2AHRHDAC6PTPN2
SCHEMBL15858543 0.81 UTRN (0.38) UTRNCYP1A2AHRHDAC6PTPN2
SCHEMBL32678389 0.80 KCNH2 (0.33) UTRNCYP1A2AHRHDAC6KCNH2
SCHEMBL32678388 0.80 KCNH2 (0.33) UTRNCYP1A2AHRHDAC6KCNH2

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 16 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
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 UTRN 4493/4885CYP1A2 41/4885AHR 481/4885
US-20160255837-A1 PESTICIDALLY ACTIVE BI- OR TRICYCLIC HETEROCYCLES WITH SULFUR CONTAINING SUBSTITUENTS DDT, TST, SCLY UTRN 3637/4885CYP1A2 596/4885AHR 145/4885
US-20210037827-A1 PESTICIDALLY ACTIVE BI- OR TRICYCLIC HETEROCYCLES WITH SULFUR CONTAINING SUBSTITUENTS GSTA1, CYP1B1, DDT UTRN 4493/4885CYP1A2 41/4885AHR 481/4885
US-10939682-B2 Pesticidally active bi- or tricyclic heterocycles with sulfur containing substituents DDT, TST, SCLY UTRN 3637/4885CYP1A2 596/4885AHR 145/4885
US-11229208-B2 Pesticidally active bi- or tricyclic heterocycles with sulfur containing substituents GSTA1, CYP1B1, DDT UTRN 4493/4885CYP1A2 41/4885AHR 481/4885

“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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