SCHEMBL18179713

SCHEMBL18179713

CCS(=O)(=O)c1nc(-c2ccc(Cl)cc2)sc1-c1nc2cc(C(F)(F)F)ncc2n1C

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 3/20 0.35
▸ PTGS1 P23219 2/20 0.35
▸ TRPM8 Q7Z2W7 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MAPT P10636 2/20 0.33
▸ SDHB P21912 1/20 0.33
▸ RORC P51449 1/20 0.33
▸ KCNH2 Q12809 1/20 0.32
▸ CA12 O43570 1/20 0.32
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ CA9 Q16790 1/20 0.32
▸ PTGDR2 Q9Y5Y4 3/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ KMT2A Q03164 1/20 0.32

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
SCHEMBL18179728 0.86 PTGS2 (0.35) PTGS2PTGS1TRPM8LMNAMAPT
SCHEMBL18179544 0.84 NPC1 (0.34) RORCCA12CA9
SCHEMBL18179714 0.84 PTGS1 (0.35) PTGS2PTGS1SDHBKCNH2CA12
SCHEMBL18179545 0.84 KCNH2 (0.36) PTGS2PTGS1LMNASDHBRORC
SCHEMBL18179821 0.83 PTGS2 (0.32) PTGS2PTGS1LMNAMAPTPTGDR2
SCHEMBL16389595 0.83 CNR2 (0.31) PTGS2PTGS1LMNARORCKCNH2
SCHEMBL18173816 0.83 S1PR1 (0.33) LMNARORCKCNH2CA12CA1
SCHEMBL18173825 0.83 LMNA (0.36) TRPM8LMNAMAPTPTGDR2KDM4E
SCHEMBL20393710 0.81 PTGS2 (0.42) PTGS2PTGS1RORCKCNH2CA12
SCHEMBL17432175 0.79 PTGS2 (0.39) PTGS2PTGS1CA12CA1CA2

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 PTGS2 186/4885PTGS1 248/4885TRPM8 2072/4885

“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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