SCHEMBL542258

SCHEMBL542258

CC(C)C[C@H](N)C(=O)OC(=O)CCC(=O)OC(=O)[C@@H](N)CC(C)C

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.50
SLC1A3 P43003 3/20 0.39
SLC1A2 P43004 3/20 0.39
ANPEP P15144 7/20 0.38
RNPEP Q9H4A4 3/20 0.38
DNPEP Q9ULA0 2/20 0.38
ALDH1A1 P00352 2/20 0.34
LAP3 P28838 4/20 0.34
ERAP1 Q9NZ08 1/20 0.34
SLC1A1 P43005 3/20 0.33
TSHR P16473 2/20 0.33
MAPK1 P28482 1/20 0.33
FOLH1 Q04609 1/20 0.33
LARS1 Q9P2J5 1/20 0.33
DPP4 P27487 1/20 0.32
DPP8 Q6V1X1 1/20 0.32
DPP9 Q86TI2 1/20 0.32
DPP7 Q9UHL4 1/20 0.32

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
SCHEMBL15655614 1.00 SLC7A5 (0.50) SLC7A5SLC1A3SLC1A2ANPEPRNPEP
SCHEMBL27517157 0.93 SLC7A5 (0.44) SLC7A5SLC1A3SLC1A2ANPEPRNPEP
SCHEMBL10523425 0.90 ALDH1A1 (0.50) SLC7A5SLC1A3SLC1A2ANPEPRNPEP
SCHEMBL13324439 0.90 ALDH1A1 (0.50) SLC7A5SLC1A3SLC1A2ANPEPRNPEP
SCHEMBL6274540 0.89 SLC7A5 (0.41) SLC7A5SLC1A3SLC1A2ANPEPRNPEP
SCHEMBL1537429 0.89 SLC7A5 (0.44) SLC7A5SLC1A3SLC1A2ANPEPRNPEP
SCHEMBL6136333 0.88 SLC7A5 (0.50) SLC7A5SLC1A3SLC1A2ANPEPRNPEP
SCHEMBL27469444 0.87 SLC7A5 (0.42) SLC7A5SLC1A3SLC1A2ANPEPRNPEP
SCHEMBL8758488 0.87 CYP1A2 (0.47) SLC7A5SLC1A3SLC1A2ANPEPRNPEP
SCHEMBL9100153 0.87 SLC7A5 (0.58) SLC7A5SLC1A3SLC1A2ANPEPRNPEP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102573845-A Novel dicarboxylic acid linked amino acid and peptide prodrugs of opioids and uses thereof SHIRE LLC 2012-07-11 CN disclosed
EP-2413937-A1 NOVEL DICARBOXYLIC ACID LINKED AMINO ACID AND PEPTIDE PRODRUGS OF OPIOIDS AND USES THEREOF Shire LLC (US) 2012-02-08 EP disclosed
US-20100286186-A1 NOVEL DICARBOXYLIC ACID LINKED AMINO ACID AND PEPTIDE PRODRUGS OF OPIOIDS AND USES THEREOF SHIRE LLC (US) 2010-11-11 US disclosed
WO-2010112942-A1 NOVEL DICARBOXYLIC ACID LINKED AMINO ACID AND PEPTIDE PRODRUGS OF OPIOIDS AND USES THEREOF SHIRE LLC (US) 2010-10-07 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-20100286186-A1 NOVEL DICARBOXYLIC ACID LINKED AMINO ACID AND PEPTIDE PRODRUGS OF OPIOIDS AND USES THEREOF VIP, OPRL1, OPRK1 SLC7A5 83/4885SLC1A3 23/4885SLC1A2 27/4885

“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.