SCHEMBL542283

SCHEMBL542283

O=C(CCC(=O)OC(=O)[C@@H]1CCCN1)OC(=O)[C@@H]1CCCN1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 2/20 0.39
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
PRCP P42785 2/20 0.38
DPP4 P27487 6/20 0.38
DPP8 Q6V1X1 4/20 0.37
DPP9 Q86TI2 4/20 0.37
DPP7 Q9UHL4 2/20 0.36
FAP Q12884 1/20 0.36
ELANE P08246 1/20 0.35
HTR2C P28335 1/20 0.34
SCN4A P35499 1/20 0.33
GLI1 P08151 1/20 0.33

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
SCHEMBL11559279 0.93 LMNA (0.40) NOS2NOS3NOS1PRCPDPP4
SCHEMBL6805970 0.90 NOS2 (0.33) NOS2NOS3NOS1PRCPDPP4
SCHEMBL7374027 0.90 NOS2 (0.35) NOS2NOS3NOS1PRCPDPP4
SCHEMBL7379328 0.90 NOS2 (0.35) NOS2NOS3NOS1PRCPDPP4
SCHEMBL11475872 0.90 PRCP (0.38) NOS2NOS3NOS1PRCPDPP4
SCHEMBL11474555 0.90 NOS2 (0.35) NOS2NOS3NOS1PRCPDPP4
SCHEMBL599792 0.90 ALDH1A1 (0.45) NOS2NOS3NOS1PRCPDPP4
SCHEMBL11618241 0.89 PRCP (0.38) PRCPDPP4DPP8DPP7SCN4A
SCHEMBL8518994 0.88 LMNA (0.42) NOS2NOS3NOS1PRCPELANE
SCHEMBL30265157 0.87 PRCP (0.44) NOS2NOS3NOS1PRCPDPP4

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
EP-0891771-A1 Compositions comprising lysine and ascorbate compounds for the treatment and prevention of cardiovascular diseases Health Now, Inc. (US) 1999-01-20 EP claimed
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
EP-0891771-A1 Compositions comprising lysine and ascorbate compounds for the treatment and prevention of cardiovascular diseases Health Now, Inc. (US) 1999-01-20 EP 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 NOS2 841/4885NOS3 746/4885NOS1 1238/4885

“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.