SCHEMBL557519

SCHEMBL557519

CC(C)(C)OC(=O)CCCCCCCCCCCCCCC(=O)Nc1cc(C(=O)O)cc(C(=O)OC(C)(C)C)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 4/20 0.51
GAA P10253 1/20 0.44
HTR1A P08908 3/20 0.41
HTR7 P34969 3/20 0.41
F2 P00734 2/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HTT P42858 1/20 0.39
FURIN P09958 1/20 0.39
POLB P06746 1/20 0.39
TMPRSS6 Q8IU80 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
HDAC3 O15379 2/20 0.39
HDAC4 P56524 2/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC7 Q8WUI4 2/20 0.39
HDAC2 Q92769 2/20 0.39
HDAC10 Q969S8 2/20 0.39

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
SCHEMBL1897841 0.85 HDAC8 (0.43) HDAC8GAAHTR1AHTR7MEN1
SCHEMBL557506 0.85 HDAC8 (0.39) HDAC8GAAHTR1AHTR7F2
SCHEMBL557453 0.82 HDAC8 (0.45) HDAC8GAAHTR1AHTR7F2
SCHEMBL1744913 0.82 HDAC8 (0.61) HDAC8HTR1AHTR7POLBHDAC3
Sebacic Acid SCHEMBL3905690 0.79 HDAC8 (0.57) HDAC8GAAHTR1AHTR7MEN1
SCHEMBL558462 0.78 HDAC8 (0.48) HDAC8GAAHTR1AHTR7POLB
SCHEMBL5219580 0.78 ALDH1A1 (0.46) GAAHTR1AHTR7MEN1KMT2A
SCHEMBL557990 0.76 HDAC8 (0.60) HDAC8GAAHTR1AHTR7MEN1
SCHEMBL15020959 0.76 GAA (0.55) HDAC8GAASMN1; SMN2POLBNPC1
SCHEMBL12836916 0.76 GAA (0.55) HDAC8GAASMN1; SMN2POLBNPC1

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 HDAC8 1374/4885GAA 770/4885HTR1A 3864/4885
US-20080076705-A1 Insulin Derivatives IAPP, INSR, GPR119 HDAC8 1287/4885GAA 801/4885HTR1A 4178/4885

“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.