SCHEMBL25254840

SCHEMBL25254840

CC(C)(C)OC(=O)N1CC2(CC(Cc3cccc(S(=O)(=O)C(F)(F)F)c3)C2)C1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 6/20 0.40
TGFBR1 P36897 6/20 0.40
NR1H2 P55055 2/20 0.39
NR1H3 Q13133 2/20 0.39
STS P08842 2/20 0.38
JAK2 O60674 2/20 0.38
JAK1 P23458 2/20 0.38
SFRP1 Q8N474 1/20 0.37
RORC P51449 1/20 0.37

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
SCHEMBL29497018 1.00 GPR119 (0.40) GPR119TGFBR1NR1H2NR1H3STS
SCHEMBL30700723 0.93 GPR119 (0.42) GPR119TGFBR1NR1H2NR1H3STS
SCHEMBL31308665 0.93 GPR119 (0.42) GPR119TGFBR1NR1H2NR1H3STS
SCHEMBL30700768 0.93 GPR119 (0.42) GPR119TGFBR1NR1H2NR1H3STS
SCHEMBL31308789 0.93 GPR119 (0.42) GPR119TGFBR1NR1H2NR1H3STS
SCHEMBL27145110 0.90 GPR119 (0.39) GPR119TGFBR1NR1H2NR1H3STS
SCHEMBL30011751 0.90 GPR119 (0.39) GPR119TGFBR1NR1H2NR1H3STS
SCHEMBL29497089 0.89 GPR119 (0.50) GPR119NR1H2NR1H3
SCHEMBL25258558 0.89 GPR119 (0.50) GPR119NR1H2NR1H3
SCHEMBL30700874 0.88 GPR119 (0.45) GPR119JAK2JAK1RORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11981661-B2 Heterocyclic compounds HOFFMANN-LA ROCHE INC. (US) 2024-05-14 US disclosed
EP-4208456-A1 HETEROCYCLIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2023-07-12 EP disclosed
US-20220098176-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2022-03-31 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 (2 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-20220098176-A1 HETEROCYCLIC COMPOUNDS CBR3, BRIX1, CCNY GPR119 2316/4885TGFBR1 2081/4885NR1H2 1175/4885
US-11981661-B2 Heterocyclic compounds CBR3, BRIX1, CCNY GPR119 2316/4885TGFBR1 2081/4885NR1H2 1175/4885

“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.