SCHEMBL558014

SCHEMBL558014

CC(C)(C)OC(=O)c1ccc(OCCCCCCCCCC(=O)O)cc1.CC(C)(C)OC(=O)c1ccc(OCCCCCCCCCC(=O)ON2C(=O)CCC2=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.44
ALOX12 P18054 1/20 0.39
PLA2G4B P0C869 3/20 0.39
GPR119 Q8TDV5 1/20 0.39
RXRA P19793 2/20 0.38
NR1H2 P55055 2/20 0.38
NR1H3 Q13133 1/20 0.38
HTT P42858 1/20 0.38
GAA P10253 1/20 0.38
ALB P02768 1/20 0.38
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38
THRA P10827 1/20 0.37
THRB P10828 1/20 0.37
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL557680 0.96 GPR119 (0.41) ALOX12GPR119HTTGAATP53
SCHEMBL1744893 0.96 GPR119 (0.41) ALOX12GPR119HTTGAATP53
SCHEMBL1362154 0.85 ITGB3 (0.37)
SCHEMBL2926216 0.85 PLA2G2A (0.35) ALOX12GPR119THRBKMT2ASMN1; SMN2
SCHEMBL4538607 0.84 PPARA (0.58) PPARAPLA2G4BRXRANR1H2NR1H3
SCHEMBL20567660 0.84 PPARA (0.58) PPARAPLA2G4BRXRANR1H2NR1H3
SCHEMBL1745096 0.84 PPARA (0.58) PPARAPLA2G4BRXRANR1H2NR1H3
SCHEMBL4540684 0.84 PPARA (0.58) PPARAPLA2G4BRXRANR1H2NR1H3
SCHEMBL2183439 0.84 PPARA (0.58) PPARAPLA2G4BRXRANR1H2NR1H3
SCHEMBL26091641 0.84 PPARA (0.58) PPARAPLA2G4BRXRANR1H2NR1H3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE46170-E1 Insulin derivatives NOVO NORDISK A/S (DK) 2016-10-04 US disclosed
EP-2256130-B1 Novel insulin derivatives NOVO NORDISK AS (DK) 2013-09-25 EP disclosed
US-8476228-B2 Insulin derivatives NOVO NORDISK A/S (DK) 2013-07-02 US disclosed
EP-1846446-B1 INSULIN DERIVATIVES NOVO NORDISK AS (DK) 2013-06-26 EP disclosed
US-20120035104-A1 Insulin derivatives NOVO NORDISK A/S (DK) 2012-02-09 US disclosed
US-8067362-B2 Antidiabetic agents; genetic engineered polypeptide; having a side chain attached alpha -amino group of the N-terminal amino acid of the B chain via an amide bond, with free carboxylic acid group, a fatty acid; soluble at physiological pH, prolonged profile of action; hypoglycemic agents NOVO NORDISK AS (DK) 2011-11-29 US disclosed
EP-2256130-A1 Novel insulin derivatives Novo Nordisk A/S (DK) 2010-12-01 EP disclosed
US-20080076705-A1 Insulin Derivatives NOVO NORDISK A/S (DK) 2008-03-27 US disclosed
EP-1846446-A1 INSULIN DERIVATIVES NOVO NORDISK A/S (DK) 2007-10-24 EP disclosed
WO-2006082204-A1 INSULIN DERIVATIVES NOVO NORDISK A/S (DK) 2006-08-10 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-20120035104-A1 Insulin derivatives IAPP, INSR, GPR119 PPARA 179/4885ALOX12 3218/4885PLA2G4B 1170/4885
US-20080076705-A1 Insulin Derivatives IAPP, INSR, GPR119 PPARA 250/4885ALOX12 3477/4885PLA2G4B 1242/4885

“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.