SCHEMBL18179730

SCHEMBL18179730

CCS(=O)(=O)c1sc(-n2ccc(C(F)(F)F)n2)nc1-c1nc2cc(C(F)(F)F)ncc2n1C

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PRMT6 Q96LA8 1/20 0.34
▸ IDH1 O75874 1/20 0.32
▸ IDH2 P48735 1/20 0.32
▸ PDE10A Q9Y233 1/20 0.32
▸ CNR2 P34972 1/20 0.31
▸ KCNH2 Q12809 1/20 0.31
▸ SDHB P21912 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
SCHEMBL18179547 0.86 PRMT6 (0.34) PRMT6IDH1IDH2PDE10ACNR2
SCHEMBL18173833 0.83 S1PR1 (0.33) CNR2KCNH2SDHB
SCHEMBL18179726 0.83 PRMT6 (0.35) PRMT6IDH1IDH2PDE10A
SCHEMBL18179712 0.81 PRMT6 (0.34) PRMT6PDE10A
SCHEMBL17553650 0.81 NPC1 (0.33) PRMT6IDH1IDH2PDE10ACNR2
SCHEMBL17949386 0.81 PDE10A (0.35) PRMT6IDH1IDH2PDE10ACNR2
SCHEMBL18179617 0.80 PRMT6 (0.34) PRMT6IDH1IDH2PDE10ACNR2
SCHEMBL18179757 0.79 RORC (0.33) CNR2KCNH2
SCHEMBL18179619 0.79 NPC1 (0.34) CNR2KCNH2SDHB
SCHEMBL18179728 0.79 PTGS2 (0.35) KCNH2SDHB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3656770-A2 PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR SUBSTITUTED FIVE-MEMBERED RING HETEROCYCLES Syngenta Participations AG (CH) 2020-05-27 — — EP disclosed
EP-3286187-B1 PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR SUBSTITUTED FIVE-MEMBERED RING HETEROCYLES SYNGENTA PARTICIPATIONS AG (CH) 2019-09-18 — — EP disclosed
US-20180099970-A1 PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR SUBSTITUTED FIVE-MEMBERED RING HETEROCYLES SYNGENTA PARTICIPATIONS AG (CH) 2018-04-12 — — US disclosed
US-20180099970-A1 PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR SUBSTITUTED FIVE-MEMBERED RING HETEROCYLES SYNGENTA PARTICIPATIONS AG (CH) 2018-04-12 — — US disclosed
WO-2016169886-A1 PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR SUBSTITUTED FIVE-MEMBERED RING HETEROCYLES SYNGENTA CROP PROTECTION AG (CH) 2016-10-27 — — 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-20180099970-A1 PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR SUBSTITUTED FIVE-MEMBERED RING HETEROCYLES DDT, NIT2, SQOR PRMT6 1768/4885IDH1 263/4885IDH2 309/4885

“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.

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