SCHEMBL2543367

SCHEMBL2543367

O=C(C[C@H](NCc1ccccc1)C(=O)OCc1ccccc1)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
MAPK1 P28482 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
MMP9 P14780 1/20 0.48
ITGA4 P13612 1/20 0.46
ITGB7 P26010 1/20 0.46
TRPM8 Q7Z2W7 1/20 0.46
SLC15A1 P46059 2/20 0.46
MAPT P10636 1/20 0.46
CASP1 P29466 2/20 0.44
CCR6 P51684 1/20 0.44
PAX8 Q06710 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A3 Q01959 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CDC25B P30305 1/20 0.43

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
SCHEMBL27671960 0.91 TRPM8 (0.50) ALDH1A1MAPK1L3MBTL1MMP9ITGA4
SCHEMBL2171165 0.91 TRPM8 (0.50) ALDH1A1MAPK1L3MBTL1MMP9ITGA4
SCHEMBL14655691 0.91 ALDH1A1 (0.51) ALDH1A1MAPK1L3MBTL1MMP9TRPM8
SCHEMBL28777999 0.91 ALDH1A1 (0.51) ALDH1A1MAPK1L3MBTL1MMP9TRPM8
SCHEMBL14655692 0.91 ALDH1A1 (0.51) ALDH1A1MAPK1L3MBTL1MMP9TRPM8
SCHEMBL22621251 0.90 MGLL (0.48) ALDH1A1MAPK1L3MBTL1MMP9ITGA4
SCHEMBL22398803 0.90 MGLL (0.48) ALDH1A1MAPK1L3MBTL1MMP9ITGA4
SCHEMBL28406623 0.89 CASP1 (0.50) ALDH1A1ITGA4ITGB7TRPM8MAPT
SCHEMBL26130291 0.89 CASP1 (0.50) ALDH1A1ITGA4ITGB7TRPM8MAPT
SCHEMBL19511851 0.88 ALDH1A1 (0.51) ALDH1A1MAPK1L3MBTL1MMP9SLC15A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8044103-B2 Cyclic dipeptides and azetidinone compounds and their use in treating CNS injury and neurodegenerative disorders GEORGETOWN UNIVERSITY (US) 2011-10-25 US disclosed
US-20070161640-A1 Cyclic dipeptides and azetidinone compounds and their use in treating CNS injury and neurodegenerative disorders KOZIKOWSKI ALAN P 2007-07-12 US disclosed
US-7202279-B1 Cyclic dipeptides and azetidinone compounds and their use in treating CNS injury and neurodegenerative disorders GEORGETOWN UNIVERSITY (US) 2007-04-10 US disclosed
EP-1061936-A4 CYCLIC DIPEPTIDES AND AZETIDINONE COMPOUNDS AND THEIR USE IN TREATING CNS INJURY AND NEURODEGENERATIVE DISORDERS UNIV GEORGETOWN (US) 2005-03-09 EP disclosed
EP-1061936-A1 CYCLIC DIPEPTIDES AND AZETIDINONE COMPOUNDS AND THEIR USE IN TREATING CNS INJURY AND NEURODEGENERATIVE DISORDERS GEORGETOWN UNIVERSITY (US) 2000-12-27 EP disclosed
WO-1999040931-A1 CYCLIC DIPEPTIDES AND AZETIDINONE COMPOUNDS AND THEIR USE IN TREATING CNS INJURY AND NEURODEGENERATIVE DISORDERS GEORGETOWN UNIVERSITY (US) 1999-08-19 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-20070161640-A1 Cyclic dipeptides and azetidinone compounds and their use in treating CNS injury and neurodegenerative disorders BDNF, PMP22, ADAM17 ALDH1A1 3513/4885MAPK1 1375/4885L3MBTL1 2750/4885

“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.