SCHEMBL18179633

SCHEMBL18179633

CCS(=O)(=O)c1ncsc1-c1nc2cc(C(F)(F)F)ncc2n1C

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SDHB P21912 1/20 0.32
▸ CNR2 P34972 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ LMNA P02545 2/20 0.31
▸ HTT P42858 2/20 0.31
▸ S1PR1 P21453 2/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ PTGS2 P35354 1/20 0.31
▸ KCNH2 Q12809 1/20 0.31
▸ RORC P51449 2/20 0.31
▸ CA12 O43570 1/20 0.31
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ CA9 Q16790 1/20 0.31
▸ HPGD P15428 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
SCHEMBL18173816 0.84 S1PR1 (0.33) CNR2NPC1RAB9ALMNAHTT
SCHEMBL16389595 0.84 CNR2 (0.31) CNR2NPC1RAB9ALMNAHTT
SCHEMBL16389588 0.83 SDHB (0.34) SDHBCNR2NPC1RAB9ALMNA
SCHEMBL18179707 0.81 CNR2 (0.33) SDHBCNR2NPC1RAB9ALMNA
SCHEMBL20047393 0.81 CNR2 (0.33) SDHBCNR2NPC1RAB9ALMNA
SCHEMBL18179544 0.80 NPC1 (0.34) CNR2NPC1RAB9ARORCCA12
SCHEMBL18179708 0.80 RORC (0.33) CNR2KCNH2RORC
SCHEMBL18179636 0.80 — —
SCHEMBL18173853 0.79 CNR2 (0.32) SDHBCNR2NPC1RAB9ALMNA
SCHEMBL17832725 0.79 CNR2 (0.31) SDHBCNR2S1PR1RORCCA12

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 SDHB 323/4885CNR2 1234/4885NPC1 4024/4885

“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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