SCHEMBL9611663

SCHEMBL9611663

CC(C)(C)OC(=O)/N=C(/NC(=O)OC(C)(C)C)NC1CC(C=O)C1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.35
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
GAA P10253 1/20 0.32
EPHX1 P07099 1/20 0.32
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CTSK P43235 2/20 0.31
KDM1A O60341 1/20 0.30
MAOB P27338 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
SCHEMBL15489159 1.00 BTK (0.35) BTKNFKB1NFKB2RELAGAA
SCHEMBL21580368 0.84 BTK (0.49) BTKNFKB1NFKB2RELAGAA
SCHEMBL9254555 0.81 BTK (0.33) BTK
SCHEMBL1873412 0.80 BTK (0.51) BTKNFKB1NFKB2RELAGAA
SCHEMBL1873410 0.80 BTK (0.51) BTKNFKB1NFKB2RELAGAA
SCHEMBL13920528 0.80 BTK (0.51) BTKNFKB1NFKB2RELAGAA
SCHEMBL15632420 0.80 BTK (0.39) BTKKMT2AL3MBTL1CTSK
SCHEMBL18256753 0.78 GAA (0.39) BTKNFKB1NFKB2RELAGAA
SCHEMBL19508986 0.78 GAA (0.39) BTKNFKB1NFKB2RELAGAA
SCHEMBL22233303 0.77 EPHX1 (0.40) BTKNFKB1NFKB2RELAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120135946-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2012-05-31 US disclosed
WO-2010132760-A9 ANTIBACTERIAL DERIVATIVES OF TOBRAMYCIN ACHAOGEN, INC. (US) 2011-11-03 WO disclosed
WO-2010132765-A9 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2011-10-13 WO disclosed
WO-2010132839-A9 AMINOGLYCOSIDE DOSING REGIMENS ACHAOGEN, INC. (US) 2011-09-15 WO disclosed
WO-2010132768-A9 ANTIBACTERIAL DERIVATIVES OF SISOMICIN ACHAOGEN, INC. (US) 2011-09-15 WO disclosed
WO-2010132759-A9 ANTIBACTERIAL DERIVATIVES OF DIBEKACIN ACHAOGEN, INC. (US) 2011-09-09 WO disclosed
WO-2010132757-A9 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2011-08-25 WO disclosed
WO-2010132839-A2 AMINOGLYCOSIDE DOSING REGIMENS ACHAOGEN, INC. (US) 2010-11-18 WO disclosed
WO-2010132768-A1 ANTIBACTERIAL DERIVATIVES OF SISOMICIN ACHAOGEN, INC. (US) 2010-11-18 WO disclosed
WO-2010132765-A2 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2010-11-18 WO disclosed
WO-2010132757-A2 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2010-11-18 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 (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-20120135946-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS MRPL21, NQO2, QARS1 BTK 3798/4885NFKB1 990/4885NFKB2 834/4885

“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.