SCHEMBL23099396

SCHEMBL23099396

CC(C)(CCN)C(N)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
MAPT P10636 1/20 0.48
PTGS1 P23219 1/20 0.48
GABRR1 P24046 2/20 0.38
KDM4E B2RXH2 1/20 0.37
GSR P00390 1/20 0.35
CTH P32929 1/20 0.34
SLC7A5 Q01650 2/20 0.33
LMNA P02545 1/20 0.33
CPB2 Q96IY4 1/20 0.33
GRIK1 P39086 1/20 0.33
BHMT Q93088 3/20 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
SCHEMBL26982392 1.00 ALDH1A1 (0.48) ALDH1A1MAPTPTGS1GABRR1KDM4E
SCHEMBL23099266 0.87 MAPT (0.45) ALDH1A1MAPTPTGS1GABRR1KDM4E
SCHEMBL14702334 0.85 GSR (0.45) ALDH1A1MAPTPTGS1GABRR1KDM4E
SCHEMBL9358019 0.82 ALDH1A1 (0.48) ALDH1A1MAPTPTGS1SLC7A5LMNA
SCHEMBL28705428 0.81 PTGS1 (0.52) ALDH1A1MAPTPTGS1GABRR1KDM4E
SCHEMBL12655754 0.80 ALDH1A1 (0.46) ALDH1A1MAPTPTGS1KDM4EGSR
SCHEMBL12655758 0.78 ALDH1A1 (0.45) ALDH1A1MAPTPTGS1KDM4EGSR
SCHEMBL20960490 0.78 PTGS1 (0.54) ALDH1A1MAPTPTGS1KDM4ESLC7A5
SCHEMBL12655753 0.77 ALDH1A1 (0.43) ALDH1A1MAPTPTGS1SLC7A5GRIK1
SCHEMBL4956090 0.76 PTGS1 (0.52) ALDH1A1MAPTPTGS1KDM4ESLC7A5

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11872262-B2 Means and methods for treating bacterial infections VIB VZW (BE) 2024-01-16 US disclosed
US-11872262-B2 Means and methods for treating bacterial infections VIB VZW (BE) 2024-01-16 US disclosed
US-20210077563-A1 Means and Methods for Treating Bacterial Infections VIB VZW (BE) 2021-03-18 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 (2 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-20210077563-A1 Means and Methods for Treating Bacterial Infections VIP, MMP8, SLC11A2 ALDH1A1 4565/4885MAPT 4028/4885PTGS1 908/4885
US-11872262-B2 Means and methods for treating bacterial infections VIP, MMP8, SLC11A2 ALDH1A1 4565/4885MAPT 4028/4885PTGS1 908/4885

“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.