SCHEMBL140565

SCHEMBL140565

CC(C)(C)OC(=O)NC[C@@H]1[C@H](NC(=O)OCc2ccccc2)CCN1C(=O)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.46
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
CPB1 P15086 2/20 0.44
CTSL P07711 2/20 0.44
CTSK P43235 2/20 0.44
PDE4B Q07343 1/20 0.44
CTSB P07858 1/20 0.44
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
DRD2 P14416 1/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.42
PDK1 Q15118 1/20 0.42
PDK2 Q15119 1/20 0.42
PDK3 Q15120 1/20 0.42
PDK4 Q16654 1/20 0.42

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
SCHEMBL116291 0.88 PDK1 (0.47) SYKCTSLDRD2HTTPDK1
SCHEMBL2185018 0.88 KMT2A (0.48) CTSLPDE4BKMT2AL3MBTL1DRD2
SCHEMBL25907337 0.86 ALDH1A1 (0.47) ALDH1A1GAACPB1CTSLCTSK
SCHEMBL6623570 0.84 PDE4B (0.47) CPB1CTSLPDE4BKMT2AL3MBTL1
SCHEMBL6623564 0.84 PDE4B (0.47) CPB1CTSLPDE4BKMT2AL3MBTL1
SCHEMBL6623558 0.84 PDE4B (0.47) CPB1CTSLPDE4BKMT2AL3MBTL1
SCHEMBL12836627 0.83 ELANE (0.47) SYKALDH1A1GAACPB1CTSL
SCHEMBL12836624 0.83 ELANE (0.47) SYKALDH1A1GAACPB1CTSL
SCHEMBL25762545 0.83 SYK (0.48) SYKCTSLDRD2HTTPDK1
SCHEMBL29061358 0.83 L3MBTL1 (0.48) CTSLCTSKPDE4BKMT2AL3MBTL1

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 2 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
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 SYK 4291/4885ALDH1A1 1678/4885GAA 938/4885

“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.