SCHEMBL557218

SCHEMBL557218

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DTYMK P23919 1/20 0.50
TSHR P16473 3/20 0.48
CASP6 P55212 1/20 0.47
VCAM1 P19320 1/20 0.44
AKR1C3 P42330 2/20 0.42
AKR1C2 P52895 2/20 0.42
HCAR3 P49019 2/20 0.41
CDC25B P30305 1/20 0.41
POLB P06746 1/20 0.41
MEN1 O00255 1/20 0.41
TTR P02766 1/20 0.41
PPOX P50336 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
LMNA P02545 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 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
SCHEMBL557153 0.91 VCAM1 (0.46) TSHRCASP6VCAM1MEN1KMT2A
SCHEMBL2429214 0.89 TSHR (0.48) TSHRCASP6VCAM1HCAR3CDC25B
SCHEMBL557040 0.89 CASP6 (0.55) DTYMKTSHRCASP6HCAR3POLB
SCHEMBL557039 0.89 CASP6 (0.55) DTYMKTSHRCASP6HCAR3POLB
SCHEMBL11247732 0.85 CASP6 (0.57) TSHRCASP6VCAM1HCAR3KMT2A
SCHEMBL2722007 0.84 VCAM1 (0.56) VCAM1AKR1C3AKR1C2POLBTDP1
SCHEMBL1353346 0.84 VCAM1 (0.57) DTYMKTSHRCASP6VCAM1AKR1C3
SCHEMBL7339887 0.83 TSHR (0.73) TSHRCASP6HCAR3POLBMEN1
SCHEMBL25484994 0.82 GPR35 (0.47) TSHRCASP6VCAM1TTRLMNA
SCHEMBL1027488 0.82 TSHR (0.62) TSHRVCAM1POLBMEN1KMT2A

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 DTYMK 4363/4885TSHR 677/4885CASP6 2621/4885
US-20080076705-A1 Insulin Derivatives IAPP, INSR, GPR119 DTYMK 4382/4885TSHR 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.