SCHEMBL5529237

SCHEMBL5529237

CCOC(=O)N1CCc2c(oc3cc(CC4SC=C(C(=O)O)NC=C4C(=O)OC)nn23)C1

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AKR1B10 O60218 1/20 0.31
AKR1B1 P15121 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
SCHEMBL5365172 0.85
SCHEMBL5371233 0.84
SCHEMBL5373836 0.76 MAP3K5 (0.31)
SCHEMBL3597371 0.74 ALDH1A1 (0.38) AKR1B10AKR1B1
SCHEMBL5365189 0.72
SCHEMBL5377926 0.71 LRRK2 (0.31)
SCHEMBL5369091 0.70
SCHEMBL5370458 0.70
SCHEMBL5373823 0.70
SCHEMBL5368935 0.69

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-20070232582-A1 4-substituted or unsubtituted-7-hydro-1,4-thiazepine-7-[bicyclic or tricyclic heteroaryl] substituted-3,6-dicarboxylic acid derivatives as beta-lactamase inhibitors WYETH HOLDINGS CORPORATION (US) 2007-10-04 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-20070232582-A1 4-substituted or unsubtituted-7-hydro-1,4-thiazepine-7-[bicyclic or tricyclic heteroaryl] substituted-3,6-dicarboxylic acid derivatives as beta-lactamase inhibitors DDC, AADAC, ALDH7A1 AKR1B10 1559/4885AKR1B1 1434/4885

“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.