SCHEMBL10099780

SCHEMBL10099780

CC(C)(C)OC(=O)CCCCCCCCCCCCCCC(=O)N(CCC(=O)OC(C)(C)C)Cc1ccc(C(=O)N[C@H](CCC(=O)ON2C(=O)CCC2=O)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DHFR P00374 3/20 0.36
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
NCOR2 Q9Y618 1/20 0.35
P2RY12 Q9H244 6/20 0.34
FOLH1 Q04609 4/20 0.33
PDE6D O43924 1/20 0.32

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
SCHEMBL10099784 1.00 DHFR (0.36) DHFRHDAC3HDAC1HDAC2HDAC6
SCHEMBL10099778 0.86 FOLH1 (0.42) DHFRHDAC3HDAC1HDAC2HDAC6
SCHEMBL10099782 0.86 FOLH1 (0.42) DHFRHDAC3HDAC1HDAC2HDAC6
SCHEMBL557865 0.83 HDAC1 (0.38) HDAC3HDAC1HDAC2HDAC6NCOR2
SCHEMBL557859 0.83 HDAC1 (0.38) HDAC3HDAC1HDAC2HDAC6NCOR2
SCHEMBL558113 0.83 HDAC1 (0.38) HDAC3HDAC1HDAC2HDAC6NCOR2
SCHEMBL557472 0.83 HDAC1 (0.38) HDAC3HDAC1HDAC2HDAC6NCOR2
SCHEMBL15909300 0.79 KMT2A (0.38) HDAC1HDAC6
SCHEMBL24819248 0.78 KMT2A (0.44) P2RY12
SCHEMBL20144613 0.78 KMT2A (0.44) P2RY12

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 12 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
US-RE46170-E1 Insulin derivatives NOVO NORDISK A/S (DK) 2016-10-04 US disclosed
US-8476228-B2 Insulin derivatives NOVO NORDISK A/S (DK) 2013-07-02 US 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-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
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
US-20080076705-A1 Insulin Derivatives NOVO NORDISK A/S (DK) 2008-03-27 US 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 DHFR 3867/4885HDAC3 445/4885HDAC1 1440/4885
US-20080076705-A1 Insulin Derivatives IAPP, INSR, GPR119 DHFR 3600/4885HDAC3 360/4885HDAC1 1252/4885

“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.