SCHEMBL22189584

SCHEMBL22189584

CCOc1cnc(-c2nc3cc(C(F)(F)F)ncc3n2C)c(S(=O)(=O)CC)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.35
▸ CNR2 P34972 2/20 0.34
▸ PTGS2 P35354 2/20 0.32
▸ PTGS1 P23219 1/20 0.32
▸ KCNH2 Q12809 1/20 0.31
▸ LRRK2 Q5S007 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ DDR1 Q08345 1/20 0.31
▸ NR1H2 P55055 1/20 0.30
▸ NR1H3 Q13133 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ ALPL P05186 1/20 0.30
▸ ALPI P09923 1/20 0.30
▸ ACACB O00763 1/20 0.30
▸ S1PR1 P21453 1/20 0.30
▸ KDM4E B2RXH2 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
SCHEMBL22189256 0.93 CNR2 (0.33) CNR2KCNH2LRRK2
SCHEMBL22189474 0.92 CNR2 (0.33) CNR2KCNH2LRRK2
SCHEMBL22189603 0.92 CNR2 (0.33) CNR2KCNH2LRRK2
SCHEMBL22189629 0.92 PTGS2 (0.35) CNR2PTGS2PTGS1KCNH2LRRK2
SCHEMBL22189359 0.91 CNR2 (0.32) CNR2KCNH2LRRK2
SCHEMBL22189512 0.91 CNR2 (0.34) CNR2KCNH2LRRK2
SCHEMBL22189265 0.91 CNR2 (0.32) CNR2KCNH2LRRK2
SCHEMBL22189566 0.91 CNR2 (0.32) CNR2KCNH2LRRK2
SCHEMBL22201089 0.91 CNR2 (0.32) CNR2KCNH2LRRK2
SCHEMBL20547555 0.91 CNR2 (0.33) CNR2KCNH2LRRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200216441-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2020-07-09 — — 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-20200216441-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS DDT, ACHE, SQOR MAPT 508/4885CNR2 2169/4885PTGS2 630/4885

“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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