SCHEMBL3338670

SCHEMBL3338670

CN[C@@H](C(=O)NCC(=O)O)C(C)C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.55
LMNA P02545 1/20 0.55
MAPT P10636 1/20 0.55
PTGS2 P35354 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
ECE1 P42892 2/20 0.53
MME P08473 4/20 0.47
ACE P12821 3/20 0.47
CPA1 P15085 1/20 0.47
ACE2 Q9BYF1 1/20 0.47
EGLN1 Q9GZT9 2/20 0.38
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
ITGB3 P05106 1/20 0.35
ITGB1 P05556 1/20 0.35
ITGAV P06756 1/20 0.35
ITGA5 P08648 1/20 0.35
CTH P32929 1/20 0.34
FAAH O00519 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL29697722 1.00 ALDH1A1 (0.55) ALDH1A1LMNAMAPTPTGS2TDP1
SCHEMBL17305531 1.00 ALDH1A1 (0.55) ALDH1A1LMNAMAPTPTGS2TDP1
SCHEMBL23743699 0.83 ALDH1A1 (0.36) ALDH1A1LMNAMAPTPTGS2TDP1
SCHEMBL22695761 0.83 ALDH1A1 (0.36) ALDH1A1LMNAMAPTPTGS2TDP1
SCHEMBL20756387 0.82 ALDH1A1 (0.35) ALDH1A1LMNAMAPTPTGS2TDP1
SCHEMBL22814739 0.82 ALDH1A1 (0.35) ALDH1A1LMNAMAPTPTGS2TDP1
SCHEMBL25672015 0.82 ALDH1A1 (0.35) ALDH1A1LMNAMAPTPTGS2TDP1
SCHEMBL26077042 0.82 ALDH1A1 (0.35) ALDH1A1LMNAMAPTPTGS2TDP1
SCHEMBL21261769 0.80 LMNA (0.52) ALDH1A1LMNAMAPTPTGS2TDP1
SCHEMBL30493820 0.80 ALDH1A1 (0.52) ALDH1A1LMNAMAPTPTGS2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109796519-B Steroid compound and application thereof 河北科技大学 2023-01-10 CN disclosed
US-20100152156-A1 2-Azetidinone Derivatives For The Treatment Of Hyperlipidaemic Diseases ASTRAZENECA AB (SE) 2010-06-17 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-20100152156-A1 2-Azetidinone Derivatives For The Treatment Of Hyperlipidaemic Diseases NPC1L1, CYP46A1, PCSK9 ALDH1A1 747/4885LMNA 1434/4885MAPT 3880/4885

“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.