SCHEMBL557154

SCHEMBL557154

CC(C)(C)c1cc(C(=O)O)c(C(C)(C)C)c(C(=O)O)c1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLRA3 O75311 1/20 0.41
GLRB P48167 1/20 0.41
PKM P14618 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
HTT P42858 2/20 0.39
MEN1 O00255 1/20 0.39
GALR3 O60755 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 4/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
TDP1 Q9NUW8 3/20 0.36
TSHR P16473 2/20 0.36
MAPT P10636 1/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CYP3A4 P08684 1/20 0.33
ALOX15 P16050 1/20 0.33

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
SCHEMBL22301339 0.78 TSHR (0.41) GLRA3GLRBL3MBTL1HTTALDH1A1
SCHEMBL9747679 0.75 KMT2A (0.45) GLRA3GLRBPKML3MBTL1HTT
SCHEMBL8768833 0.75 PKM (0.44) GLRA3GLRBPKML3MBTL1HTT
SCHEMBL19873678 0.74 GLRA3 (0.46) GLRA3GLRBTDP1TSHRCA1
SCHEMBL14989280 0.74 GLRA3 (0.47) GLRA3GLRBL3MBTL1MEN1KMT2A
SCHEMBL4924664 0.73 SMN1; SMN2 (0.47) GLRA3GLRBL3MBTL1HTTMEN1
SCHEMBL11511991 0.72 TSHR (0.45) GLRA3GLRBL3MBTL1HTTMEN1
SCHEMBL14989300 0.72 GLRA3 (0.50) GLRA3GLRBL3MBTL1MEN1KMT2A
SCHEMBL14989212 0.72 GLRA3 (0.50) GLRA3GLRBL3MBTL1MEN1KMT2A
SCHEMBL29094363 0.71 GLRA3 (0.44) GLRA3GLRBMEN1KMT2ASMN1; SMN2

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 GLRA3 766/4885GLRB 132/4885PKM 2848/4885
US-20080076705-A1 Insulin Derivatives IAPP, INSR, GPR119 GLRA3 1224/4885GLRB 238/4885PKM 2707/4885

“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.