SCHEMBL542453

SCHEMBL542453

CC(C)[C@@H](C(=O)OC(C)(C)C)N1C(=O)CCC1=O

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.33
SLC1A2 P43004 1/20 0.32
NFKB1 P19838 4/20 0.32
NFKB2 Q00653 4/20 0.32
RELA Q04206 4/20 0.32
KMT2A Q03164 2/20 0.31
ATM Q13315 1/20 0.31
LMNA P02545 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
PLA2G10 O15496 1/20 0.31
PLA2G5 P39877 1/20 0.31
GAA P10253 1/20 0.30
GRIN2B Q13224 1/20 0.30
GRIN2C Q14957 1/20 0.30

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
SCHEMBL1514137 0.93 GRIN2B (0.32) ELANENFKB1NFKB2RELAGRIN2B
SCHEMBL12482671 0.83 GRIN2B (0.35) ELANELMNACA1CA2CA7
SCHEMBL22151991 0.77 LMNA (0.43) KMT2ALMNACHRM2CHRM1CHRM3
SCHEMBL15623779 0.75 RAB9A (0.41) SLC1A2KMT2AATMLMNACHRM2
SCHEMBL542300 0.75 RAB9A (0.41) SLC1A2KMT2AATMLMNACHRM2
SCHEMBL9530404 0.75 GLA (0.31) ELANE
SCHEMBL542373 0.73 TP53 (0.55) ELANEKMT2ALMNAGAA
SCHEMBL1289807 0.72 ALDH1A1 (0.37) KMT2ALMNACA1CA2CA7
SCHEMBL3736109 0.71 ALDH1A1 (0.35) KMT2ALMNACA1CA2CA7
SCHEMBL242269 0.71 MGLL (0.30)

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-20120202756-A1 USE OF PRODRUGS TO AVOID GI MEDIATED ADVERSE EVENTS FRANKLIN RICHARD (GB) 2012-08-09 US disclosed
CN-102573845-A Novel dicarboxylic acid linked amino acid and peptide prodrugs of opioids and uses thereof SHIRE LLC 2012-07-11 CN disclosed
WO-2012046062-A1 USE OF PRODRUGS TO AVOID GI MEDIATED ADVERSE EVENTS SHIRE, LLC (US) 2012-04-12 WO 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 (2 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 ELANE 3566/4885SLC1A2 27/4885NFKB1 1715/4885
US-20120202756-A1 USE OF PRODRUGS TO AVOID GI MEDIATED ADVERSE EVENTS OPRM1, UGT1A6, UGT1A4 ELANE 2437/4885SLC1A2 332/4885NFKB1 4058/4885

“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.