SCHEMBL17609315

SCHEMBL17609315

CCS(=O)(=O)c1cc(C(F)(F)F)cnc1-c1nc2cc(I)cnc2n1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.42
▸ DDR1 Q08345 6/20 0.32
▸ LRRK2 Q5S007 1/20 0.32
▸ ALOX5AP P20292 1/20 0.31
▸ FEN1 P39748 1/20 0.31
▸ S1PR1 P21453 1/20 0.30
▸ EGLN1 Q9GZT9 1/20 0.30
▸ CRHR1 P34998 1/20 0.30
▸ MEN1 O00255 2/20 0.30
▸ KMT2A Q03164 2/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ STAT3 P40763 1/20 0.30
▸ STAT1 P42224 1/20 0.30
▸ CASP3 P42574 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ SENP8 Q96LD8 1/20 0.30
▸ SENP7 Q9BQF6 1/20 0.30
▸ SENP6 Q9GZR1 1/20 0.30
▸ AGBL2 Q5U5Z8 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
SCHEMBL17986815 0.96 POLB (0.45) POLBDDR1LRRK2S1PR1EGLN1
SCHEMBL14684583 0.92 POLB (0.48) POLBDDR1LRRK2ALOX5APFEN1
SCHEMBL29360277 0.92 POLB (0.48) POLBDDR1LRRK2ALOX5APFEN1
SCHEMBL15868301 0.92 POLB (0.46) POLBDDR1LRRK2ALOX5APFEN1
SCHEMBL15868290 0.89 POLB (0.44) POLBDDR1LRRK2ALOX5APFEN1
SCHEMBL14684615 0.88 POLB (0.45) POLBDDR1LRRK2ALOX5APFEN1
SCHEMBL29431643 0.88 POLB (0.45) POLBDDR1LRRK2ALOX5APFEN1
SCHEMBL29431660 0.88 POLB (0.45) POLBDDR1LRRK2ALOX5APFEN1
SCHEMBL17609378 0.88 POLB (0.42) POLBDDR1LRRK2ALOX5APFEN1
SCHEMBL14677420 0.88 POLB (0.45) POLBDDR1LRRK2ALOX5APFEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200055850-A1 PESTICIDALLY ACTIVE TETRACYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2020-02-20 — — US claimed
US-20170260182-A1 PESTICIDALLY ACTIVE TETRACYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2017-09-14 — — US claimed
EP-3194394-A1 PESTICIDALLY ACTIVE TETRACYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS Syngenta Participations AG (CH) 2017-07-26 — — EP claimed
WO-2016041819-A1 PESTICIDALLY ACTIVE TETRACYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2016-03-24 — — WO claimed
CN-106715428-B Pesticidally active tetracyclic derivatives with sulfur-containing substituents 先正达参股股份有限公司 2020-07-07 — — CN disclosed
US-20200055850-A1 PESTICIDALLY ACTIVE TETRACYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2020-02-20 — — US disclosed
US-10435401-B2 Pesticidally active tetracyclic derivatives with sulphur containing substituents SYNGENTA PARTICIPATIONS AG (CH) 2019-10-08 — — US disclosed
EP-3194394-B1 PESTICIDALLY ACTIVE TETRACYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2019-01-09 — — EP disclosed
US-20170260182-A1 PESTICIDALLY ACTIVE TETRACYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2017-09-14 — — US disclosed
EP-3194394-A1 PESTICIDALLY ACTIVE TETRACYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS Syngenta Participations AG (CH) 2017-07-26 — — EP disclosed
WO-2016041819-A1 PESTICIDALLY ACTIVE TETRACYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2016-03-24 — — 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 (3 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-20170260182-A1 PESTICIDALLY ACTIVE TETRACYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS DDT, ACHE, GSTO1 POLB 4168/4885DDR1 4051/4885LRRK2 396/4885
US-20200055850-A1 PESTICIDALLY ACTIVE TETRACYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS DDT, ACHE, GSTM1 POLB 4099/4885DDR1 4290/4885LRRK2 342/4885
US-10435401-B2 Pesticidally active tetracyclic derivatives with sulphur containing substituents DDT, ACHE, GSTO1 POLB 4168/4885DDR1 4051/4885LRRK2 396/4885

“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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