SCHEMBL16716432

SCHEMBL16716432

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 4/20 0.47
▸ ALOX5AP P20292 1/20 0.32
▸ FEN1 P39748 1/20 0.32
▸ MEN1 O00255 4/20 0.32
▸ KMT2A Q03164 4/20 0.32
▸ HTT P42858 3/20 0.32
▸ AGBL2 Q5U5Z8 1/20 0.32
▸ S1PR1 P21453 1/20 0.32
▸ CRHR1 P34998 3/20 0.32
▸ ALDH1A1 P00352 2/20 0.31
▸ RAB9A P51151 2/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ STAT3 P40763 1/20 0.31
▸ STAT1 P42224 1/20 0.31
▸ CASP3 P42574 1/20 0.31
▸ SENP8 Q96LD8 1/20 0.31
▸ SENP7 Q9BQF6 1/20 0.31
▸ SENP6 Q9GZR1 1/20 0.31
▸ PKM P14618 2/20 0.31
▸ LMNA P02545 2/20 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
SCHEMBL24695961 0.93 POLB (0.42) POLBALOX5APFEN1ALDH1A1
SCHEMBL30122227 0.93 POLB (0.42) POLBALOX5APFEN1ALDH1A1
SCHEMBL24696107 0.93 POLB (0.42) POLBALOX5APFEN1ALDH1A1
SCHEMBL25184184 0.90 POLB (0.41) POLBCRHR1
SCHEMBL29360277 0.89 POLB (0.48) POLBALOX5APFEN1MEN1KMT2A
SCHEMBL14684583 0.89 POLB (0.48) POLBALOX5APFEN1MEN1KMT2A
SCHEMBL24696197 0.87 POLB (0.41) POLB
SCHEMBL30122147 0.87 POLB (0.41) POLB
SCHEMBL24695573 0.87 POLB (0.41) POLB
SCHEMBL30122146 0.87 POLB (0.41) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3068780-B1 PESTICIDALLY ACTIVE BICYCLIC HETEROCYCLES WITH SULPHUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2017-06-14 — — EP disclosed
US-9522913-B2 Pesticidally active bicyclic heterocycles with sulphur containing substituents SYNGENTA PARTICIPATIONS AG (CH) 2016-12-20 — — US disclosed
US-9522913-B2 Pesticidally active bicyclic heterocycles with sulphur containing substituents SYNGENTA PARTICIPATIONS AG (CH) 2016-12-20 — — US disclosed
US-20160272638-A1 PESTICIDALLY ACTIVE BICYCLIC HETEROCYCLES WITH SULPHUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2016-09-22 — — US disclosed
US-20160272638-A1 PESTICIDALLY ACTIVE BICYCLIC HETEROCYCLES WITH SULPHUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2016-09-22 — — US disclosed
WO-2015071180-A1 PESTICIDALLY ACTIVE BICYCLIC HETEROCYCLES WITH SULPHUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2015-05-21 — — WO disclosed
EP-2873668-A1 Pesticidally active bicyclic heterocycles with sulphur containing substituents Syngenta Participations AG. (CH) 2015-05-20 — — EP 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-20160272638-A1 PESTICIDALLY ACTIVE BICYCLIC HETEROCYCLES WITH SULPHUR CONTAINING SUBSTITUENTS DDT, ACHE, TST POLB 4206/4885ALOX5AP 2804/4885FEN1 3646/4885

“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.

Send feedback