SCHEMBL3882069

SCHEMBL3882069

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

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.39
EPHX2 P34913 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
KDM1A O60341 2/20 0.34
BTK Q06187 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
EPHX1 P07099 1/20 0.33
CTSK P43235 2/20 0.32
MAOB P27338 2/20 0.31
MAOA P21397 1/20 0.31
GFER P55789 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
SCHEMBL13631064 1.00 GAA (0.39) GAAEPHX2NFKB1NFKB2RELA
SCHEMBL1710440 0.89 GAA (0.37) GAAEPHX2NFKB1NFKB2RELA
SCHEMBL4126273 0.89 GAA (0.37) GAAEPHX2NFKB1NFKB2RELA
SCHEMBL4126276 0.89 GAA (0.37) GAAEPHX2NFKB1NFKB2RELA
SCHEMBL15414426 0.88 GAA (0.36) GAAEPHX2NFKB1NFKB2RELA
SCHEMBL11978256 0.88 GAA (0.36) GAAEPHX2NFKB1NFKB2RELA
SCHEMBL3877935 0.85 PPM1D (0.32)
SCHEMBL3877927 0.85 PPM1D (0.32)
SCHEMBL20280263 0.84 GAA (0.37) GAAEPHX2NFKB1NFKB2RELA
SCHEMBL13421931 0.84 GAA (0.37) GAAEPHX2NFKB1NFKB2RELA

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
WO-2007117482-A2 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2007-10-18 WO claimed
US-20090275581-A1 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. 2009-11-05 US disclosed
US-20090275581-A1 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. 2009-11-05 US disclosed
US-20090264428-A1 Renin Inhibitors VITAE PHARMACEUTICALS, INC. 2009-10-22 US disclosed
US-20090264428-A1 Renin Inhibitors VITAE PHARMACEUTICALS, INC. 2009-10-22 US disclosed
EP-2010488-A2 RENIN INHIBITORS Vitae Pharmaceuticals, Inc. (US) 2009-01-07 EP disclosed
WO-2007117482-A2 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2007-10-18 WO disclosed
WO-2007117559-A2 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2007-10-18 WO 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-20090275581-A1 RENIN INHIBITORS REN, ACE, SERPINB1 GAA 56/4885EPHX2 3299/4885NFKB1 2079/4885
US-20090264428-A1 Renin Inhibitors REN, ACE, SERPINB1 GAA 25/4885EPHX2 2785/4885NFKB1 2444/4885

“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.