SCHEMBL23937606

SCHEMBL23937606

N[C@@H](CCC(=O)C(=O)OCc1ccccc1)C(=O)C(=O)OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
SLC1A1 P43005 4/20 0.43
SLC1A3 P43003 3/20 0.43
LTA4H P09960 7/20 0.43
KMT2A Q03164 2/20 0.42
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A3 Q01959 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
SLC15A1 P46059 1/20 0.42
HTT P42858 1/20 0.41
SLC1A2 P43004 2/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL20880748 1.00 ALDH1A1 (0.44) ALDH1A1SLC1A1SLC1A3LTA4HKMT2A
SCHEMBL23937492 1.00 ALDH1A1 (0.44) ALDH1A1SLC1A1SLC1A3LTA4HKMT2A
SCHEMBL29540375 0.90 LTA4H (0.52) ALDH1A1SLC1A1SLC1A3LTA4HKMT2A
SCHEMBL31668437 0.88 LTA4H (0.44) ALDH1A1SLC1A1SLC1A3LTA4HKMT2A
SCHEMBL23937568 0.85 SLC15A1 (0.47) ALDH1A1SLC1A1SLC1A3KMT2AMAPK1
SCHEMBL23937684 0.85 SLC15A1 (0.47) ALDH1A1SLC1A1SLC1A3KMT2AMAPK1
SCHEMBL30415091 0.85 ALDH1A1 (0.46) ALDH1A1SLC1A1SLC1A3LTA4HKMT2A
SCHEMBL24328246 0.85 SLC1A3 (0.41) ALDH1A1SLC1A1SLC1A3LTA4HKMT2A
SCHEMBL30297646 0.84 ALDH1A1 (0.45) ALDH1A1SLC1A1SLC1A3KMT2AMAPK1
SCHEMBL29403049 0.81 SLC7A5 (0.58) ALDH1A1SLC1A1SLC1A3LTA4HKMT2A

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-11713338-B2 Cyclic peptides multimers targeting α-4-β-7 integrin ZEALAND PHARMA A/S (DK) 2023-08-01 US disclosed
US-20210324007-A1 CYCLIC PEPTIDES MULTIMERS TARGETING ALPHA-4-BETA-7 INTEGRIN ZEALAND PHARMA A/S (DK) 2021-10-21 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-11713338-B2 Cyclic peptides multimers targeting α-4-β-7 integrin ITGB7, ITGB4, ITGA4 ALDH1A1 2752/4885SLC1A1 3416/4885SLC1A3 3410/4885
US-20210324007-A1 CYCLIC PEPTIDES MULTIMERS TARGETING ALPHA-4-BETA-7 INTEGRIN ITGB7, ITGB4, ITGA4 ALDH1A1 2677/4885SLC1A1 3222/4885SLC1A3 3337/4885

“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.