SCHEMBL557473

SCHEMBL557473

CC(C)(C)OC(=O)CCCCCCCCCCCCCCCCC(=O)NC(CCC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 10/20 0.56
KMT2A Q03164 2/20 0.51
POLB P06746 1/20 0.46
SLC6A5 Q9Y345 1/20 0.43
HDAC8 Q9BY41 1/20 0.41
ACE P12821 1/20 0.41
FOLH1 Q04609 1/20 0.40
GNPAT O15228 1/20 0.40

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
SCHEMBL23745093 0.95 NOD1 (0.50) NOD1KMT2APOLBSLC6A5ACE
SCHEMBL28347965 0.94 NOD1 (0.54) NOD1KMT2AFOLH1GNPAT
SCHEMBL31555986 0.94 NOD1 (0.54) NOD1KMT2AFOLH1GNPAT
SCHEMBL28347966 0.94 NOD1 (0.54) NOD1KMT2AFOLH1GNPAT
SCHEMBL28482066 0.93 NOD1 (0.68) NOD1KMT2ASLC6A5
SCHEMBL29552370 0.92 NOD1 (0.57) NOD1KMT2ASLC6A5
SCHEMBL30776083 0.90 NOD1 (0.48) NOD1POLBFOLH1GNPAT
SCHEMBL31292066 0.90 NOD1 (0.48) NOD1POLBFOLH1GNPAT
SCHEMBL27851391 0.88 NOD1 (0.51) NOD1KMT2APOLBFOLH1GNPAT
SCHEMBL29552406 0.88 NOD1 (0.49) NOD1KMT2APOLBSLC6A5HDAC8

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 NOD1 2379/4885KMT2A 3918/4885POLB 2503/4885
US-20080076705-A1 Insulin Derivatives IAPP, INSR, GPR119 NOD1 2550/4885KMT2A 4065/4885POLB 2804/4885

“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.