SCHEMBL144300

SCHEMBL144300

CC(C)(C)[Si](C)(C)O[C@H]1CN(C(=O)O)[C@](CCO)(Cc2ccccc2)C1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 15/20 0.32
PDK1 Q15118 1/20 0.31
PDK2 Q15119 1/20 0.31
PDK3 Q15120 1/20 0.31
PDK4 Q16654 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL146231 0.92 GRIN2B (0.33) GRIN2BCHRM2CHRM4CHRM5CHRM1
SCHEMBL16400539 0.81 GRIN2B (0.35) GRIN2BLMNA
SCHEMBL146713 0.80 GRIN2B (0.33) GRIN2BLMNA
SCHEMBL141744 0.79 GRIN2B (0.32) GRIN2BLMNA
SCHEMBL22776330 0.77 GAA (0.36) GRIN2B
SCHEMBL22776331 0.77 GAA (0.36) GRIN2B
SCHEMBL145119 0.76 GRIN2B (0.43) GRIN2B
SCHEMBL4292543 0.75 PDK1 (0.34) GRIN2BPDK1PDK2PDK3PDK4
SCHEMBL4063481 0.74 PPM1D (0.35) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL6319951 0.74 GRIN2B (0.39) GRIN2BLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120058989-A1 ANTIBACTERIAL FLUOROQUINOLONE ANALOGS ACHAOGEN, INC. (US) 2012-03-08 US disclosed
EP-2250171-A2 ANTIBACTERIAL FLUOROQUINOLONE ANALOGS Achaogen, Inc. (US) 2010-11-17 EP disclosed
WO-2009137130-A2 ANTIBACTERIAL FLUOROQUINOLONE ANALOGS ACHAOGEN, INC. (US) 2009-11-12 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-20120058989-A1 ANTIBACTERIAL FLUOROQUINOLONE ANALOGS RECQL, BLVRB, NQO2 GRIN2B 2496/4885PDK1 3211/4885PDK2 3126/4885

“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.