SCHEMBL22649263

SCHEMBL22649263

N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NAALAD2 Q9Y3Q0 3/20 0.60
POLB P06746 1/20 0.53
LTA4H P09960 1/20 0.53
SLC15A1 P46059 1/20 0.52
MME P08473 2/20 0.51
GNPAT O15228 1/20 0.51
CTSC P53634 1/20 0.49
FOLH1 Q04609 2/20 0.48
ALPI P09923 1/20 0.48
PKM P14618 1/20 0.48
PTGS1 P23219 1/20 0.48
XIAP P98170 1/20 0.48
SLC7A5 Q01650 1/20 0.48
BACE1 P56817 1/20 0.47
ECE1 P42892 1/20 0.47
CPA3 P15088 1/20 0.47

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
SCHEMBL30123529 1.00 NAALAD2 (0.60) NAALAD2POLBLTA4HSLC15A1MME
SCHEMBL29928852 0.94 MME (0.55) NAALAD2POLBLTA4HSLC15A1MME
SCHEMBL6237394 0.94 NAALAD2 (0.64) NAALAD2POLBLTA4HSLC15A1GNPAT
SCHEMBL27652943 0.94 NAALAD2 (0.64) NAALAD2POLBLTA4HSLC15A1GNPAT
SCHEMBL3048911 0.94 NAALAD2 (0.68) NAALAD2POLBLTA4HSLC15A1MME
SCHEMBL6236774 0.94 NAALAD2 (0.68) NAALAD2POLBLTA4HSLC15A1MME
SCHEMBL3048908 0.94 NAALAD2 (0.68) NAALAD2POLBLTA4HSLC15A1MME
SCHEMBL30692726 0.92 NAALAD2 (0.67) NAALAD2POLBLTA4HSLC15A1MME
SCHEMBL22644556 0.91 LTA4H (0.52) NAALAD2LTA4HSLC15A1CTSC
SCHEMBL30849218 0.91 NAALAD2 (0.61) NAALAD2POLBLTA4HSLC15A1MME

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
US-20200354404-A1 PEPTIDOMIMETIC AGENTS, SYNTHESIS AND USES THEREOF THE FEINSTEIN INSTITUTES FOR MEDICAL RESEARCH (US) 2020-11-12 US disclosed
WO-2020227588-A1 PEPTIDOMIMETIC AGENTS, SYNTHESIS AND USES THEREOF THE FEINSTEIN INSTITUTES FOR MEDICAL RESEARCH (US) 2020-11-12 WO 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-20200354404-A1 PEPTIDOMIMETIC AGENTS, SYNTHESIS AND USES THEREOF DNPEP, PEPD, ANPEP NAALAD2 66/4885POLB 3424/4885LTA4H 2329/4885

“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.