SCHEMBL116291

SCHEMBL116291

C[C@@H]1CCN(C(=O)OCc2ccccc2)[C@@H]1CNC(=O)OC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.47
PDK2 Q15119 1/20 0.47
PDK3 Q15120 1/20 0.47
PDK4 Q16654 1/20 0.47
SYK P43405 1/20 0.47
DRD2 P14416 1/20 0.45
HTT P42858 1/20 0.45
HTR2C P28335 1/20 0.45
CTSL P07711 1/20 0.44

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
SCHEMBL140565 0.88 SYK (0.46) PDK1PDK2PDK3PDK4SYK
SCHEMBL25762545 0.87 SYK (0.48) PDK1PDK2PDK3PDK4SYK
SCHEMBL23826487 0.85 PDK1 (0.49) PDK1PDK2PDK3PDK4SYK
SCHEMBL30511007 0.83 OPRD1 (0.49) SYKCTSL
SCHEMBL12496208 0.82 FKBP1A (0.52) SYKCTSL
SCHEMBL115134 0.81 SMN1; SMN2 (0.52) HTR2C
SCHEMBL12814239 0.81 HTT (0.44) PDK1PDK2PDK3PDK4SYK
SCHEMBL2185018 0.81 KMT2A (0.48) PDK1PDK2PDK3PDK4DRD2
SCHEMBL5351275 0.81 KDM4E (0.62) DRD2HTT
SCHEMBL30452743 0.81 MEN1 (0.46) PDK1PDK2PDK3PDK4SYK

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-20120058989-A1 ANTIBACTERIAL FLUOROQUINOLONE ANALOGS ACHAOGEN, INC. (US) 2012-03-08 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-20120058989-A1 ANTIBACTERIAL FLUOROQUINOLONE ANALOGS RECQL, BLVRB, NQO2 PDK1 3211/4885PDK2 3126/4885PDK3 2908/4885

“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.