SCHEMBL13627358

SCHEMBL13627358

CCONC(=O)CC(=O)Nc1cccc(CN(C(=O)OC(C)(C)C)[C@@H](Cc2ccccc2)C(=O)O)c1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 5/20 0.39
SLC1A2 P43004 1/20 0.38
SLC1A1 P43005 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TP53 P04637 1/20 0.37
ACE P12821 1/20 0.36

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
SCHEMBL13627355 0.93 ALDH1A1 (0.42) BACE1SLC1A2SLC1A1SMN1; SMN2ALDH1A1
SCHEMBL18359864 0.78 ALDH1A1 (0.48) ALDH1A1ACE
SCHEMBL8472422 0.78 ALDH1A1 (0.48) ALDH1A1ACE
SCHEMBL8472423 0.78 ALDH1A1 (0.48) ALDH1A1ACE
SCHEMBL4564346 0.74 ALDH1A1 (0.42) ALDH1A1ACE
SCHEMBL4564347 0.74 ALDH1A1 (0.42) ALDH1A1ACE
SCHEMBL23099848 0.73 ATM (0.42) ALDH1A1ACE
SCHEMBL10957821 0.73 ATM (0.42) ALDH1A1ACE
SCHEMBL10957808 0.73 ATM (0.42) ALDH1A1ACE
SCHEMBL1491418 0.73 ALDH1A1 (0.43) BACE1ALDH1A1TP53

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-20090291978-A1 Enzyme Inhibitors CHROMA THERAPEUTICS LTD. (GB) 2009-11-26 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-20090291978-A1 Enzyme Inhibitors HAT1, NR2E1, NR2C2 BACE1 1003/4885SLC1A2 3524/4885SLC1A1 2770/4885

“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.