SCHEMBL144467

SCHEMBL144467

CC(C)(C)OC(=O)CC[C@H](N)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.36
LTA4H P09960 2/20 0.35
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
P2RY12 Q9H244 7/20 0.34
PTPRC P08575 1/20 0.33

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
SCHEMBL29666570 0.88 AAK1 (0.35) AAK1LTA4HCTSSCTSKPTPRC
SCHEMBL3404476 0.87 LTA4H (0.38) LTA4H
SCHEMBL117345 0.86 LTA4H (0.37) AAK1LTA4H
Hydrochloric Acid SCHEMBL29071909 0.83 LTA4H (0.42) LTA4H
SCHEMBL29071875 0.83 LTA4H (0.42) LTA4H
Hydrochloric Acid SCHEMBL29071911 0.83 LTA4H (0.42) LTA4H
SCHEMBL5727045 0.80 CYP3A4 (0.36)
SCHEMBL22321343 0.79 LTA4H (0.35) LTA4H
SCHEMBL22321345 0.79 LTA4H (0.35) LTA4H
SCHEMBL20212163 0.79 SIGMAR1 (0.34)

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 AAK1 4159/4885LTA4H 1162/4885CTSS 888/4885

“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.