SCHEMBL22462869

SCHEMBL22462869

O=C(O)N1CC(S(=O)(=O)Cc2ccc(C(F)(F)F)cc2F)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 2/20 0.38
▸ IDO1 P14902 1/20 0.38
▸ RORC P51449 3/20 0.38
▸ CA2 P00918 1/20 0.38
▸ SLC6A2 P23975 1/20 0.37
▸ SLC6A3 Q01959 1/20 0.37
▸ S1PR1 P21453 1/20 0.37
▸ PRKX P51817 1/20 0.37
▸ IKBKE Q14164 1/20 0.37
▸ S1PR5 Q9H228 1/20 0.37
▸ MGLL Q99685 1/20 0.37
▸ TRPV1 Q8NER1 1/20 0.36
▸ KCNH2 Q12809 1/20 0.35
▸ GPR119 Q8TDV5 1/20 0.35
▸ DAO P14920 1/20 0.35
▸ FFAR1 O14842 1/20 0.35
▸ CYP11B1 P15538 3/20 0.35
▸ CYP11B2 P19099 3/20 0.35
▸ PTGDR2 Q9Y5Y4 1/20 0.34
▸ FFAR4 Q5NUL3 1/20 0.34

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
SCHEMBL22462908 0.78 MGLL (0.56) SLC6A4IDO1SLC6A2SLC6A3S1PR1
SCHEMBL19411886 0.77 IDO1 (0.48) SLC6A4IDO1S1PR1PRKXIKBKE
SCHEMBL21722779 0.77 IDO1 (0.39) SLC6A4IDO1CA2SLC6A2SLC6A3
SCHEMBL25262695 0.76 SLC6A4 (0.50) SLC6A4IDO1RORCSLC6A2SLC6A3
SCHEMBL21723064 0.76 HSD11B1 (0.40) SLC6A4RORCSLC6A2MGLLFFAR1
SCHEMBL21723375 0.72 MGLL (0.44) SLC6A4CA2SLC6A2SLC6A3MGLL
SCHEMBL21381616 0.72 PTGDR2 (0.43) KCNH2CYP11B1CYP11B2PTGDR2POLB
SCHEMBL27160732 0.72 IDO1 (0.46) SLC6A4IDO1SLC6A2SLC6A3S1PR1
SCHEMBL21722786 0.70 TRPV4 (0.45) POLB
SCHEMBL23850001 0.70 FFAR4 (0.40) SLC6A4IDO1SLC6A2SLC6A3S1PR1

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-20200308190-A1 HETEROCYCLIC COMPOUNDS AS MONOACYLGLYCEROL LIPASE INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2020-10-01 — — 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-20200308190-A1 HETEROCYCLIC COMPOUNDS AS MONOACYLGLYCEROL LIPASE INHIBITORS LIPC, MGLL, LPL SLC6A4 4776/4885IDO1 3714/4885RORC 4211/4885

“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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