SCHEMBL21948872

SCHEMBL21948872

CCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)F)ncc3n2C)sc2ccsc12

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 2/20 0.33
▸ PTGS2 P35354 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ SDHB P21912 1/20 0.33
▸ RORC P51449 1/20 0.33
▸ ADORA2B P29275 1/20 0.32
▸ CNR2 P34972 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ S1PR1 P21453 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ SMN1; SMN2 Q16637 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
SCHEMBL21949322 0.87 KCNH2 (0.32) KCNH2RORCS1PR1
SCHEMBL20547209 0.87 KCNH2 (0.32) KCNH2RORC
SCHEMBL21948583 0.85 KCNH2 (0.32) KCNH2RORC
SCHEMBL24360752 0.84 PIK3CD (0.32) PTGS2NPC1HTT
SCHEMBL19299809 0.84 RORC (0.34) PTGS2KCNH2SDHBRORCCNR2
SCHEMBL21949317 0.83 KCNH2 (0.32) KCNH2SDHB
SCHEMBL20547491 0.83 KCNH2 (0.33) PTGS2KCNH2
SCHEMBL21875179 0.83 KCNH2 (0.33) KCNH2RORCCNR2NPC1RAB9A
SCHEMBL19299911 0.83 KCNH2 (0.33) KCNH2RORCCNR2NPC1RAB9A
SCHEMBL19299910 0.83 KCNH2 (0.33) KCNH2RORCCNR2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3615540-B1 CONDENSED BICYCLIC HETEROCYCLE DERIVATIVES AS PESTICIDES BAYER AG (DE) 2022-04-27 — — EP disclosed
US-20200128830-A1 FUSED BICYCLIC HETEROCYCLE DERIVATIVES AS PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 2020-04-30 — — US 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-20200128830-A1 FUSED BICYCLIC HETEROCYCLE DERIVATIVES AS PESTICIDES DDT, ACHE, BCHE ADORA2A 383/4885PTGS2 1598/4885KCNH2 747/4885

“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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