SCHEMBL557153

SCHEMBL557153

CC(C)(C)OC(=O)c1ccc([N+](=O)[O-])c(C(=O)OC(C)(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 1/20 0.46
TSHR P16473 2/20 0.43
CASP6 P55212 1/20 0.42
NPSR1 Q6W5P4 2/20 0.42
HPGD P15428 2/20 0.42
ALDH1A1 P00352 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
MET P08581 1/20 0.42
SIRT6 Q8N6T7 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA3 P34903 1/20 0.41
GABRA2 P47869 1/20 0.41
MAPT P10636 4/20 0.40
LMNA P02545 2/20 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
SCHEMBL2722007 0.93 VCAM1 (0.56) VCAM1NPSR1HPGDALDH1A1SIRT6
SCHEMBL557218 0.91 DTYMK (0.50) VCAM1TSHRCASP6NPSR1HPGD
SCHEMBL557040 0.91 CASP6 (0.55) TSHRCASP6HPGDMAPTLMNA
SCHEMBL557039 0.91 CASP6 (0.55) TSHRCASP6HPGDMAPTLMNA
SCHEMBL11247732 0.88 CASP6 (0.57) VCAM1TSHRCASP6NPSR1HPGD
SCHEMBL25484994 0.85 GPR35 (0.47) VCAM1TSHRCASP6NPSR1HPGD
SCHEMBL9747677 0.85 EGFR (0.43) NPSR1ALDH1A1CA12CA1CA2
SCHEMBL1027488 0.85 TSHR (0.62) VCAM1TSHRALDH1A1MAPTLMNA
SCHEMBL1028481 0.84 TDP1 (0.47) ALDH1A1SIRT6GABRA1GABRG2GABRB3
SCHEMBL1186362 0.84 TDP1 (0.52) TSHRALDH1A1MAPTLMNAKMT2A

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 VCAM1 2756/4885TSHR 677/4885CASP6 2621/4885
US-20080076705-A1 Insulin Derivatives IAPP, INSR, GPR119 VCAM1 3381/4885TSHR 597/4885CASP6 2407/4885

“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.