SCHEMBL117345

SCHEMBL117345

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

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 5/20 0.37
ALDH1A1 P00352 1/20 0.34
SMYD2 Q9NRG4 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
CYP3A4 P08684 1/20 0.33
HTT P42858 1/20 0.33
POLB P06746 1/20 0.33
PSMB5 P28074 1/20 0.31
AAK1 Q2M2I8 1/20 0.31
KIF11 P52732 1/20 0.31
ALPI P09923 1/20 0.30
PKM P14618 1/20 0.30
PTGS1 P23219 1/20 0.30
XIAP P98170 1/20 0.30
SLC7A5 Q01650 1/20 0.30

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
SCHEMBL3404476 0.91 LTA4H (0.38) LTA4HALDH1A1SMN1; SMN2CYP3A4HTT
SCHEMBL144467 0.86 AAK1 (0.36) LTA4HAAK1
Hydrochloric Acid SCHEMBL29071909 0.86 LTA4H (0.42) LTA4HSMN1; SMN2CYP3A4HTT
Hydrochloric Acid SCHEMBL29071911 0.86 LTA4H (0.42) LTA4HSMN1; SMN2CYP3A4HTT
SCHEMBL29071875 0.86 LTA4H (0.42) LTA4HSMN1; SMN2CYP3A4HTT
SCHEMBL5727045 0.83 CYP3A4 (0.36) SMYD2SMN1; SMN2CYP3A4HTT
SCHEMBL28414419 0.83 SMYD2 (0.32) ALDH1A1SMYD2SMN1; SMN2CYP3A4HTT
SCHEMBL22321345 0.82 LTA4H (0.35) LTA4HSMYD2SMN1; SMN2CYP3A4HTT
SCHEMBL22321343 0.82 LTA4H (0.35) LTA4HSMYD2SMN1; SMN2CYP3A4HTT
SCHEMBL20212163 0.82 SIGMAR1 (0.34) SMYD2SMN1; SMN2CYP3A4HTT

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 LTA4H 1162/4885ALDH1A1 1678/4885SMYD2 4608/4885

“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.