SCHEMBL2314003

SCHEMBL2314003

CC(C)(C)OC(=O)NC1COCCC1=O

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.58
NFKB1 P19838 4/20 0.43
NFKB2 Q00653 4/20 0.43
RELA Q04206 4/20 0.43
CTSD P07339 2/20 0.40
BTK Q06187 1/20 0.39
EPHX2 P34913 1/20 0.37
CTSK P43235 3/20 0.37
BACE1 P56817 1/20 0.36
KDM1A O60341 1/20 0.35
MAOB P27338 1/20 0.35
PIK3R1 P27986 1/20 0.35
PIK3CA P42336 1/20 0.35

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
SCHEMBL6885957 1.00 GAA (0.58) GAANFKB1NFKB2RELACTSD
SCHEMBL14861548 0.84 GAA (0.61) GAANFKB1NFKB2RELABTK
SCHEMBL3381985 0.84 GAA (0.54) GAANFKB1NFKB2RELACTSD
SCHEMBL3621203 0.79 GAA (0.54) GAANFKB1NFKB2RELABTK
SCHEMBL2771992 0.79 GAA (0.54) GAANFKB1NFKB2RELABTK
SCHEMBL15130755 0.78 GAA (0.66) GAANFKB1NFKB2RELACTSD
SCHEMBL19089217 0.77 GAA (0.50) GAANFKB1NFKB2RELACTSD
SCHEMBL24818982 0.76 GAA (0.51) GAANFKB1NFKB2RELABTK
SCHEMBL15192054 0.76 GAA (0.51) GAANFKB1NFKB2RELABTK
SCHEMBL764580 0.76 GAA (0.51) GAANFKB1NFKB2RELABTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2531190-B1 TETRAHYDRO-PYRAN DERIVATIVES AGAINST NEUROLOGICAL ILLNESSES HOFFMANN LA ROCHE (CH) 2014-07-23 EP disclosed
US-8524909-B2 Tetrahydro-pyran derivatives HOFFMANN-LA ROCHE INC. (US) 2013-09-03 US disclosed
EP-2531190-A1 TETRAHYDRO-PYRAN DERIVATIVES AGAINST NEUROLOGICAL ILLNESSES F. Hoffmann-La Roche AG (CH) 2012-12-12 EP disclosed
WO-2011095434-A1 TETRAHYDRO-PYRAN DERIVATIVES AGAINST NEUROLOGICAL ILLNESSES F. HOFFMANN-LA ROCHE AG (CH) 2011-08-11 WO disclosed
US-20110190349-A1 TETRAHYDRO-PYRAN DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-08-04 US disclosed
US-7482372-B2 Hydantoins and related heterocycles as inhibitors of matrix metalloproteinases and/or TNF-α converting enzyme (TACE) BRISTOL-MYERS SQUIBB COMPANY (US) 2009-01-27 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-20110190349-A1 TETRAHYDRO-PYRAN DERIVATIVES GLRA1, GRIA1, GLRA2 GAA 2923/4885NFKB1 4290/4885NFKB2 3868/4885

“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.