SCHEMBL558168

SCHEMBL558168

COC(=O)CCCCCCCCCCSc1ccc(C(=O)OC(C)(C)C)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.42
HDAC2 Q92769 3/20 0.42
HDAC3 O15379 2/20 0.42
HDAC4 P56524 2/20 0.42
HDAC7 Q8WUI4 2/20 0.42
HDAC10 Q969S8 2/20 0.42
HDAC11 Q96DB2 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
HDAC9 Q9UKV0 2/20 0.42
HDAC5 Q9UQL6 2/20 0.42
THRA P10827 1/20 0.41
THRB P10828 1/20 0.41
ALDH1A1 P00352 4/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 2/20 0.39
GAA P10253 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HTR1A P08908 1/20 0.38
HTR7 P34969 1/20 0.38

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
SCHEMBL557373 1.00 HDAC1 (0.42) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL2820863 0.95 ALDH1A1 (0.43) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL2820872 0.95 PLA2G4B (0.42) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL10498140 0.88 MAPT (0.49) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL10498875 0.88 MAPT (0.49) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL557940 0.87 ALDH1A1 (0.49) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL557689 0.87 ALDH1A1 (0.49) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL17262797 0.82 ALDH1A1 (0.44) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL558414 0.82 PLA2G4B (0.49) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL557475 0.82 PLA2G4B (0.49) HDAC1HDAC2HDAC3HDAC4HDAC7

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 HDAC1 1440/4885HDAC2 1924/4885HDAC3 445/4885
US-20080076705-A1 Insulin Derivatives IAPP, INSR, GPR119 HDAC1 1252/4885HDAC2 1821/4885HDAC3 360/4885

“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.