SCHEMBL17824437

SCHEMBL17824437

CC[S+]([O-])c1cc2ccccc2cc1-c1nc2cc(C(F)(F)F)cnc2n1C

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
MET P08581 6/20 0.32
HSD11B1 P28845 2/20 0.32
DRD2 P14416 2/20 0.32
DRD4 P21917 2/20 0.32
DRD3 P35462 2/20 0.32
GRM2 Q14416 2/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
HSD17B10 Q99714 1/20 0.31
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
KCNH2 Q12809 1/20 0.30
PDE10A Q9Y233 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
SCHEMBL15412786 0.90 POLB (0.43) POLBMETHSD11B1DRD2DRD4
SCHEMBL10280728 0.88 POLB (0.43) POLBHSD11B1PDE10A
SCHEMBL10281047 0.86 POLB (0.42) POLBPDE10A
SCHEMBL10281057 0.85 POLB (0.41) POLBHSD11B1DRD2DRD4DRD3
SCHEMBL10280733 0.85 POLB (0.41) POLBALDH1A1
SCHEMBL15616836 0.84 POLB (0.41) POLBPDE10A
SCHEMBL16622982 0.84 POLB (0.42) POLBPTGS2PDE10A
SCHEMBL16611913 0.84 POLB (0.42) POLBPTGS2PDE10A
SCHEMBL116987 0.84 POLB (0.42) POLBPTGS2PDE10A
SCHEMBL15427213 0.83 POLB (0.40) POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3230284-B1 PESTICIDALLY ACTIVE TETRACYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2020-04-15 EP disclosed
EP-3230284-B1 PESTICIDALLY ACTIVE TETRACYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2020-04-15 EP disclosed
US-10308650-B2 Pesticidally active tetracyclic derivatives with sulfur containing substituents SYNGENTA PARTICIPATIONS AG (CH) 2019-06-04 US disclosed
US-10308650-B2 Pesticidally active tetracyclic derivatives with sulfur containing substituents SYNGENTA PARTICIPATIONS AG (CH) 2019-06-04 US disclosed
US-20170349581-A1 PESTICIDALLY ACTIVE TETRACYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATION AG (CH) 2017-12-07 US disclosed
US-20170349581-A1 PESTICIDALLY ACTIVE TETRACYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATION AG (CH) 2017-12-07 US disclosed
US-20170349581-A1 PESTICIDALLY ACTIVE TETRACYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATION AG (CH) 2017-12-07 US disclosed
EP-3230284-A1 PESTICIDALLY ACTIVE TETRACYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS Syngenta Participations AG (CH) 2017-10-18 EP disclosed
WO-2016091731-A1 PESTICIDALLY ACTIVE TETRACYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2016-06-16 WO disclosed
WO-2016091731-A1 PESTICIDALLY ACTIVE TETRACYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2016-06-16 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 (2 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-10308650-B2 Pesticidally active tetracyclic derivatives with sulfur containing substituents DDT, TST, ACHE POLB 3710/4885MET 3640/4885HSD11B1 560/4885
US-20170349581-A1 PESTICIDALLY ACTIVE TETRACYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS DDT, TST, ACHE POLB 3710/4885MET 3640/4885HSD11B1 560/4885

“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.