SCHEMBL4517509

SCHEMBL4517509

CC(C)(C)OC(=O)NC1CCC(C(N)=O)NC1=O

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.51
▸ NFKB1 P19838 2/20 0.40
▸ NFKB2 Q00653 2/20 0.40
▸ RELA Q04206 2/20 0.40
▸ PLG P00747 1/20 0.38
▸ F2 P00734 1/20 0.38
▸ F10 P00742 1/20 0.38
▸ PRSS1 P07477 1/20 0.38
▸ BTK Q06187 1/20 0.37
▸ EPHX2 P34913 1/20 0.35
▸ CTSK P43235 2/20 0.35
▸ CCR2 P41597 1/20 0.34
▸ BACE1 P56817 1/20 0.34
▸ KDM1A O60341 1/20 0.33
▸ MAOB P27338 1/20 0.33

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
SCHEMBL7398655 0.87 GAA (0.52) GAANFKB1NFKB2RELAPLG
SCHEMBL4507930 0.82 GAA (0.47) GAANFKB1NFKB2RELAPLG
SCHEMBL23282460 0.81 GAA (0.55) GAANFKB1NFKB2RELABTK
SCHEMBL22728463 0.81 GAA (0.55) GAANFKB1NFKB2RELABTK
SCHEMBL4506151 0.77 RGS12 (0.33) CCR2
SCHEMBL22482790 0.76 GAA (0.52) GAANFKB1NFKB2RELAF2
SCHEMBL22482787 0.76 GAA (0.52) GAANFKB1NFKB2RELAF2
SCHEMBL8837689 0.76 GAA (0.52) GAANFKB1NFKB2RELAF2
SCHEMBL8837694 0.76 GAA (0.52) GAANFKB1NFKB2RELAF2
SCHEMBL4985702 0.76 GAA (0.52) GAANFKB1NFKB2RELAEPHX2

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-20090131444-A1 Aminopiperidine Quinolines and Their Azaisosteric Analogues with Antibacterial Activity ASTRAZENECA AB (SE) 2009-05-21 — — 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-20090131444-A1 Aminopiperidine Quinolines and Their Azaisosteric Analogues with Antibacterial Activity AAAS, AMPD2, AMPD3 GAA 1301/4885NFKB1 1086/4885NFKB2 2341/4885

“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.

Send feedback