SCHEMBL146713

SCHEMBL146713

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

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 13/20 0.33
ALDH1A1 P00352 3/20 0.32
RBP4 P02753 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
LMNA P02545 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
PPM1D O15297 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
SCHEMBL141744 0.91 GRIN2B (0.32) GRIN2BALDH1A1LMNAMEN1KMT2A
SCHEMBL146231 0.82 GRIN2B (0.33) GRIN2BALDH1A1LMNA
SCHEMBL16403229 0.81 ALDH1A1 (0.35) GRIN2BALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL22776178 0.80 GAA (0.34) GRIN2B
SCHEMBL22776177 0.80 GAA (0.34) GRIN2B
SCHEMBL144300 0.80 GRIN2B (0.32) GRIN2BLMNA
SCHEMBL4292543 0.76 PDK1 (0.34) GRIN2BALDH1A1MEN1KMT2A
SCHEMBL4063481 0.75 PPM1D (0.35) PPM1D
SCHEMBL144742 0.75 GRIN2B (0.42) GRIN2BALDH1A1
SCHEMBL4973728 0.74 TOP2A (0.33) GRIN2BPPM1D

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 2496/4885ALDH1A1 1678/4885RBP4 2689/4885

“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.