SCHEMBL1661966

SCHEMBL1661966

CC(C)(C)OC(=O)N[C@@H]1CC(=O)OC1=O

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.55
NFKB1 P19838 5/20 0.50
NFKB2 Q00653 5/20 0.50
RELA Q04206 5/20 0.50
BTK Q06187 1/20 0.39
EPHX2 P34913 1/20 0.37
CTSK P43235 2/20 0.36
KDM1A O60341 1/20 0.36

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
SCHEMBL8355012 1.00 GAA (0.55) GAANFKB1NFKB2RELABTK
SCHEMBL1661965 1.00 GAA (0.55) GAANFKB1NFKB2RELABTK
SCHEMBL10054766 0.86 GAA (0.51) GAANFKB1NFKB2RELABTK
SCHEMBL7801965 0.84 GAA (0.37) GAANFKB1NFKB2RELA
SCHEMBL7403132 0.84 GAA (0.37) GAANFKB1NFKB2RELA
SCHEMBL7403136 0.84 GAA (0.37) GAANFKB1NFKB2RELA
SCHEMBL29217279 0.84 GAA (0.52) GAANFKB1NFKB2RELABTK
SCHEMBL19021605 0.84 GAA (0.52) GAANFKB1NFKB2RELABTK
SCHEMBL14159811 0.79 GAA (0.51) GAANFKB1NFKB2RELABTK
SCHEMBL14308598 0.78 GAA (0.47) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2306994-B1 S1P1 RECEPTOR AGONISTS AND USE THEREOF AMGEN INC (US) 2013-08-14 EP disclosed
EP-2306994-A1 S1P1 RECEPTOR AGONISTS AND USE THEREOF Amgen, Inc (US) 2011-04-13 EP disclosed
US-7842685-B2 S1P1 receptor agonists and use thereof AMGEN INC. (US) 2010-11-30 US disclosed
US-20100029611-A1 S1P1 receptor agonists and use thereof AMGEN INC. (US) 2010-02-04 US disclosed
WO-2009154775-A1 S1P1 RECEPTOR AGONISTS AND USE THEREOF AMGEN INC. (US) 2009-12-23 WO disclosed
EP-1581480-B1 CYCLOPENTYL-SUBSTITUTED GLUTARAMIDE COMPOUNDS AS ENDOPEPTIDASE-V INHIBITORS PFIZER LTD (GB) 2006-08-23 EP disclosed
US-7045653-B2 cyclopentyl substituted glutaramide derivatives; inhibitors of neutral endopeptidase which may be used to treat cardiovascular disorders, especially hypertension PFIZER, INC. (US) 2006-05-16 US disclosed
US-20050075392-A1 Novel pharmaceuticals DACK KEVIN NEIL (GB) 2005-04-07 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-20050075392-A1 Novel pharmaceuticals MME, ECE1, ECE2 GAA 1335/4885NFKB1 4609/4885NFKB2 4451/4885
US-20100029611-A1 S1P1 receptor agonists and use thereof S1PR1, S1PR5, S1PR2 GAA 4071/4885NFKB1 2004/4885NFKB2 2534/4885

“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.