SCHEMBL2539994

SCHEMBL2539994

NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CSSC[C@H](N)C(=O)N1CCC[C@H]1C(N)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 6/20 0.42
DPP8 Q6V1X1 4/20 0.42
DPP9 Q86TI2 4/20 0.42
DPP7 Q9UHL4 4/20 0.42
FAP Q12884 3/20 0.42
ACE P12821 6/20 0.40
REN P00797 3/20 0.40
KDM4E B2RXH2 1/20 0.40
F2 P00734 1/20 0.40
LMNA P02545 1/20 0.40
LTA4H P09960 1/20 0.40
MAPT P10636 1/20 0.40
PEPD P12955 1/20 0.40
ALOX15 P16050 1/20 0.40
PTGS1 P23219 1/20 0.40
HTR2A P28223 1/20 0.40
PTGS2 P35354 1/20 0.40
HRH1 P35367 1/20 0.40
THPO P40225 1/20 0.40
PMP22 Q01453 1/20 0.40

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
SCHEMBL30203686 0.84 DPP4 (0.44) DPP4DPP8DPP9DPP7FAP
SCHEMBL6240873 0.83 DPP4 (0.61) DPP4DPP8DPP9DPP7FAP
Hydrochloric Acid SCHEMBL11339157 0.81 DPP4 (0.60) DPP4DPP8DPP9DPP7FAP
SCHEMBL26429410 0.81 DPP4 (0.62) DPP4DPP8DPP9DPP7FAP
SCHEMBL4411036 0.80 DPP4 (0.63) DPP4DPP8DPP9DPP7FAP
SCHEMBL4409965 0.80 DPP4 (0.63) DPP4DPP8DPP9DPP7FAP
SCHEMBL13596841 0.80 DPP4 (0.63) DPP4DPP8DPP9DPP7FAP
SCHEMBL30819305 0.80 DPP4 (0.46) DPP4DPP8DPP9DPP7FAP
SCHEMBL14895624 0.79 CAPN1 (0.41) DPP4DPP8DPP9DPP7FAP
Hydrochloric Acid SCHEMBL11331994 0.79 DPP4 (0.62) DPP4DPP8DPP9DPP7FAP

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 DPP4 15/4885DPP8 130/4885DPP9 139/4885

“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.