SCHEMBL2966767

SCHEMBL2966767

CC(C)(C)NCC(O)c1ccc(O)c(COC(=O)CCCO[N+](=O)[O-])c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 5/20 0.51
HIF1A Q16665 3/20 0.51
TSHR P16473 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
NFKB1 P19838 1/20 0.51
ADRB1 P08588 1/20 0.51
TDP1 Q9NUW8 1/20 0.50
PMP22 Q01453 1/20 0.49
ROCK2 O75116 3/20 0.40
ROCK1 Q13464 3/20 0.40
LMNA P02545 2/20 0.39
CASP7 P55210 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
KDM4E B2RXH2 1/20 0.38
CASP1 P29466 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 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
SCHEMBL14117385 0.94 ADRB2 (0.49) ADRB2HIF1ATSHRCYP1A2CYP2D6
SCHEMBL13240114 0.85 ADRB2 (0.42) ADRB2ADRB1ROCK2ROCK1
SCHEMBL1230900 0.85 ADRB2 (0.63) ADRB2HIF1ATSHRCYP1A2CYP2D6
SCHEMBL14190089 0.83 ADRB2 (0.42) ADRB2HIF1ATSHRCYP1A2CYP2D6
SCHEMBL7775809 0.83 ADRB2 (0.56) ADRB2HIF1ATSHRCYP1A2CYP2D6
SCHEMBL7778381 0.83 ADRB2 (0.56) ADRB2HIF1ATSHRCYP1A2CYP2D6
SCHEMBL5145221 0.83 ADRB2 (0.56) ADRB2HIF1ATSHRCYP1A2CYP2D6
SCHEMBL14141543 0.80 ADRB2 (0.62) ADRB2HIF1ATSHRCYP1A2CYP2D6
SCHEMBL6258012 0.79 ADRB2 (0.50) ADRB2HIF1ATSHRCYP1A2CYP2D6
SCHEMBL6838978 0.78 ADRB2 (0.66) ADRB2HIF1ATSHRCYP1A2CYP2D6

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7759392-B2 Pharmaceutical compounds NICOX S.A. (FR) 2010-07-20 US disclosed
US-20090170941-A1 Pharmaceutical Compounds NICOX S.A. (FR) 2009-07-02 US disclosed
US-7399878-B2 Pharmaceutical compounds NICOX S.A. (FR) 2008-07-15 US disclosed
US-20070197499-A1 Pharmaceutical compounds NICOX S.A. 2007-08-23 US disclosed
US-7186753-B1 Pharmaceutical compounds NICOX S.A. (FR) 2007-03-06 US disclosed
EP-1593664-A1 Nitric esters derivatives of ferulic acid and sulindac with pharmaceutical activity Nicox S.A (FR) 2005-11-09 EP disclosed
EP-1252133-B1 PHARMACEUTICAL COMPOUNDS NICOX SA (FR) 2005-06-08 EP 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-20070197499-A1 Pharmaceutical compounds NR0B2, NR0B1, CYP11B2 ADRB2 16/4885HIF1A 2937/4885TSHR 371/4885
US-20090170941-A1 Pharmaceutical Compounds NR0B2, NR0B1, CYP11B2 ADRB2 16/4885HIF1A 2760/4885TSHR 366/4885

“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.