SCHEMBL17732142

SCHEMBL17732142

CCS(=O)(=O)c1cc(Br)cnc1-c1cn2cnc(C(F)(F)F)cc2n1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DDR1 Q08345 2/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
KCNH2 Q12809 1/20 0.32
PTGS2 P35354 1/20 0.31
PLA2G1B P04054 1/20 0.30
ATG4B Q9Y4P1 1/20 0.30
KDM4E B2RXH2 1/20 0.30
LMNA P02545 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
SCHEMBL17742021 0.92 NPC1 (0.31) DDR1NPC1RAB9A
SCHEMBL16346465 0.88 PTGS2 (0.34) DDR1NPC1RAB9AKCNH2PTGS2
SCHEMBL20233511 0.88 KCNH2 (0.36) NPC1RAB9AKCNH2
SCHEMBL21832205 0.88 KCNH2 (0.32) DDR1NPC1RAB9AKCNH2
SCHEMBL17732195 0.88 DDR1 (0.35) DDR1NPC1RAB9AKCNH2
SCHEMBL17742023 0.86 KCNH2 (0.33) DDR1KCNH2
SCHEMBL30444844 0.86 DDR1 (0.30) DDR1
SCHEMBL21832226 0.86 PTGS2 (0.33) DDR1KCNH2PTGS2KDM4E
SCHEMBL17732166 0.86 KCNH2 (0.31) KCNH2
SCHEMBL17732155 0.86 DDR1 (0.30) DDR1

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
US-10645928-B2 Pesticidally active polycyclic derivatives with sulfur containing substituents SYNGENTA PARTICIPATIONS AG (CH) 2020-05-12 US disclosed
US-10645928-B2 Pesticidally active polycyclic derivatives with sulfur containing substituents SYNGENTA PARTICIPATIONS AG (CH) 2020-05-12 US disclosed
EP-3214939-B1 PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2020-02-19 EP disclosed
EP-3214939-B1 PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2020-02-19 EP disclosed
US-20170318809-A1 PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2017-11-09 US disclosed
US-20170318809-A1 PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2017-11-09 US disclosed
US-20170318809-A1 PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2017-11-09 US disclosed
EP-3214939-A1 PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS Syngenta Participations AG (CH) 2017-09-13 EP disclosed
WO-2016071214-A1 PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2016-05-12 WO disclosed
WO-2016071214-A1 PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2016-05-12 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-10645928-B2 Pesticidally active polycyclic derivatives with sulfur containing substituents DDT, SQOR, ACHE DDR1 4567/4885NPC1 3044/4885RAB9A 1807/4885
US-20170318809-A1 PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS DDT, SQOR, ACHE DDR1 4567/4885NPC1 3044/4885RAB9A 1807/4885

“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.