SCHEMBL557040

SCHEMBL557040

CC(C)(C)OC(=O)c1cc(C(=O)O)ccc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 1/20 0.55
TSHR P16473 2/20 0.55
HCAR3 P49019 10/20 0.48
LMNA P02545 2/20 0.48
POLB P06746 1/20 0.44
DTYMK P23919 1/20 0.43
MAPT P10636 2/20 0.42
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL557039 1.00 CASP6 (0.55) CASP6TSHRHCAR3LMNAPOLB
SCHEMBL557153 0.91 VCAM1 (0.46) CASP6TSHRLMNAMAPTMEN1
SCHEMBL557218 0.89 DTYMK (0.50) CASP6TSHRHCAR3LMNAPOLB
SCHEMBL3512823 0.89 CASP6 (0.55) CASP6TSHRHCAR3LMNAPOLB
SCHEMBL2722007 0.87 VCAM1 (0.56) LMNAPOLBHPGD
SCHEMBL2722165 0.84 CASP6 (0.60) CASP6TSHRHCAR3LMNAMAPT
SCHEMBL31548461 0.84 CASP6 (0.60) CASP6TSHRHCAR3LMNAMAPT
SCHEMBL7339887 0.83 TSHR (0.73) CASP6TSHRHCAR3LMNAPOLB
SCHEMBL9747677 0.82 EGFR (0.43) LMNADTYMKMAPT
SCHEMBL1028481 0.81 TDP1 (0.47) DTYMKMAPT

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 CASP6 2621/4885TSHR 677/4885HCAR3 229/4885
US-20080076705-A1 Insulin Derivatives IAPP, INSR, GPR119 CASP6 2407/4885TSHR 597/4885HCAR3 173/4885

“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.