SCHEMBL542373

SCHEMBL542373

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

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.55
ALDH1A1 P00352 4/20 0.54
SMN1; SMN2 Q16637 1/20 0.47
LMNA P02545 1/20 0.46
KMT2A Q03164 1/20 0.46
MAPT P10636 2/20 0.46
PLAU P00749 1/20 0.45
ELANE P08246 1/20 0.45
TSHR P16473 2/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
MAPK1 P28482 1/20 0.43
POLB P06746 1/20 0.43
HTT P42858 1/20 0.42
NPC1 O15118 1/20 0.41

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
SCHEMBL1925775 0.87 TP53 (0.49) TP53ALDH1A1SMN1; SMN2LMNAKMT2A
SCHEMBL311575 0.86 LMNA (0.55) ALDH1A1SMN1; SMN2LMNAKMT2AMAPT
SCHEMBL312623 0.86 LMNA (0.55) ALDH1A1SMN1; SMN2LMNAKMT2AMAPT
SCHEMBL25667516 0.85 TP53 (0.44) TP53ALDH1A1LMNAKMT2AKDM4E
SCHEMBL25667517 0.84 LMNA (0.43) TP53ALDH1A1LMNAKDM4EGAA
SCHEMBL12272956 0.83 ALDH1A1 (0.44) TP53ALDH1A1MAPTMAPK1POLB
SCHEMBL12273760 0.83 TP53 (0.43) TP53ALDH1A1MAPTMAPK1
SCHEMBL12283875 0.80 TP53 (0.54) TP53ALDH1A1SMN1; SMN2LMNAKMT2A
SCHEMBL14648855 0.80 TP53 (0.54) TP53ALDH1A1SMN1; SMN2LMNAKMT2A
SCHEMBL12284440 0.80 TP53 (0.54) TP53ALDH1A1SMN1; SMN2LMNAKMT2A

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 TP53 3114/4885ALDH1A1 1313/4885SMN1; SMN2 2249/4885

“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.