SCHEMBL542345

SCHEMBL542345

CC(C)(C)OC(=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.65
GAA P10253 2/20 0.65
HSD11B1 P28845 1/20 0.62
POLB P06746 3/20 0.62
L3MBTL1 Q9Y468 2/20 0.62
KMT2A Q03164 4/20 0.55
SMN1; SMN2 Q16637 3/20 0.54
PKM P14618 1/20 0.54
MAPT P10636 3/20 0.54
TDP1 Q9NUW8 1/20 0.52
AADAT Q8N5Z0 1/20 0.52
MEN1 O00255 3/20 0.51
LMNA P02545 2/20 0.51
TSHR P16473 1/20 0.51
HTT P42858 2/20 0.49
RECQL P46063 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49

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
SCHEMBL19597540 0.85 ALDH1A1 (0.70) ALDH1A1GAAHSD11B1POLBL3MBTL1
SCHEMBL19597541 0.85 ALDH1A1 (0.70) ALDH1A1GAAHSD11B1POLBL3MBTL1
SCHEMBL22649439 0.84 ALDH1A1 (0.52) ALDH1A1GAAHSD11B1POLBL3MBTL1
SCHEMBL21848397 0.83 ALDH1A1 (0.68) ALDH1A1GAAHSD11B1POLBL3MBTL1
SCHEMBL27774615 0.82 MAPT (0.57) ALDH1A1GAAHSD11B1POLBKMT2A
SCHEMBL17643692 0.82 MAPT (0.57) ALDH1A1GAAHSD11B1POLBKMT2A
SCHEMBL28451504 0.81 POLB (0.48) ALDH1A1GAAHSD11B1POLBL3MBTL1
SCHEMBL14865943 0.80 ALDH1A1 (0.72) ALDH1A1GAAHSD11B1POLBL3MBTL1
SCHEMBL28451132 0.80 POLB (0.47) ALDH1A1GAAHSD11B1POLBL3MBTL1
SCHEMBL4861809 0.79 ALDH1A1 (1.00) ALDH1A1GAAPOLBL3MBTL1KMT2A

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 ALDH1A1 1313/4885GAA 2291/4885HSD11B1 2898/4885

“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.