SCHEMBL17824504

SCHEMBL17824504

CCS(=O)(=O)c1cc2ccccc2cc1-c1nc2cc(C(F)(F)F)cnc2n1C

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.45
DDR1 Q08345 5/20 0.37
PDE2A O00408 1/20 0.35
KMT2A Q03164 1/20 0.35
PTGS1 P23219 3/20 0.35
PTGS2 P35354 3/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
USP1 O94782 1/20 0.35
HSD11B1 P28845 1/20 0.34
PPARD Q03181 1/20 0.33
PKM P14618 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33
MET P08581 1/20 0.33
ACSS2 Q9NR19 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
SCHEMBL15412012 0.89 POLB (0.46) POLBDDR1PDE2AKMT2APTGS1
SCHEMBL10280701 0.87 POLB (0.46) POLBDDR1PDE2A
SCHEMBL18819864 0.86 POLB (0.43) POLBDDR1PDE2AKMT2APTGS1
SCHEMBL10280987 0.85 POLB (0.45) POLBDDR1PDE2APKM
SCHEMBL29814246 0.84 POLB (0.44) POLBDDR1HTTGRIN1GRIN2B
SCHEMBL20632183 0.84 POLB (0.44) POLBDDR1HTTGRIN1GRIN2B
SCHEMBL10281172 0.84 POLB (0.44) POLBDDR1KMT2ALMNAHTT
SCHEMBL10281000 0.84 POLB (0.44) POLBDDR1PDE2APPARD
SCHEMBL16804794 0.84 POLB (0.45) POLBDDR1KMT2APTGS1PTGS2
SCHEMBL15616817 0.84 POLB (0.44) POLBDDR1PDE2APPARD

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 9 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

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 3710/4885DDR1 4604/4885PDE2A 1467/4885
US-20170349581-A1 PESTICIDALLY ACTIVE TETRACYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS DDT, TST, ACHE POLB 3710/4885DDR1 4604/4885PDE2A 1467/4885

“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.