SCHEMBL17110770

SCHEMBL17110770

CCS(=O)(=O)c1cc(C(F)(F)F)cnc1-c1nccn1C

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.37
DDR1 Q08345 7/20 0.35
AGBL2 Q5U5Z8 1/20 0.35
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SCN9A Q15858 2/20 0.34
SCN10A Q9Y5Y9 1/20 0.34
PKM P14618 1/20 0.33
HCRTR1 O43613 1/20 0.33
SSTR4 P31391 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL18751299 0.88 DDR1 (0.36) DDR1AGBL2ALOX5APFEN1PTGS1
SCHEMBL18424605 0.86 GRIN1 (0.38) MCL1DDR1ALOX5APFEN1SCN9A
SCHEMBL17111048 0.81 L3MBTL1 (0.39) DDR1AGBL2ALOX5APFEN1PTGS2
SCHEMBL30772985 0.81 KDM4E (0.35) PTGS1PTGS2LMNAPOLBHTT
SCHEMBL18424534 0.81 HSD17B10 (0.35) NPC1RAB9AHTTKMT2A
SCHEMBL21895288 0.81 KDM4E (0.35) PTGS1PTGS2LMNAPOLBHTT
SCHEMBL28483543 0.80 AGBL2 (0.35) DDR1AGBL2ALOX5APFEN1PTGS1
SCHEMBL18989038 0.80 MCL1 (0.44) MCL1DDR1ALOX5APFEN1NPC1
SCHEMBL29755370 0.80 MCL1 (0.44) MCL1DDR1ALOX5APFEN1NPC1
SCHEMBL18751303 0.79 PKM (0.37) DDR1PTGS1PTGS2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3122737-B1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2018-09-26 EP disclosed
US-9988366-B2 Pesticidally active heterocyclic derivatives with sulphur containing substituents SYNGENTA PARTICIPATIONS AG (CH) 2018-06-05 US disclosed
US-9988366-B2 Pesticidally active heterocyclic derivatives with sulphur containing substituents SYNGENTA PARTICIPATIONS AG (CH) 2018-06-05 US disclosed
US-9988366-B2 Pesticidally active heterocyclic derivatives with sulphur containing substituents SYNGENTA PARTICIPATIONS AG (CH) 2018-06-05 US disclosed
WO-2018041729-A2 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2018-03-08 WO disclosed
WO-2018041729-A2 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2018-03-08 WO disclosed
US-20170107201-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2017-04-20 US disclosed
US-20170107201-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2017-04-20 US disclosed
US-20170107201-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2017-04-20 US disclosed
EP-3122737-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS Syngenta Participations AG (CH) 2017-02-01 EP disclosed
WO-2015144895-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2015-10-01 WO disclosed
WO-2015144895-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2015-10-01 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 (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-20170107201-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS DDT, ACHE, GSTM1 MCL1 2967/4885DDR1 4540/4885AGBL2 2906/4885

“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.