SCHEMBL161533

SCHEMBL161533

CCOP(=O)(CCOCCOCCOCCN)OCC

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 2/20 0.47
TSHR P16473 3/20 0.43
CYP3A4 P08684 1/20 0.35
TP53 P04637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ALDH1A1 P00352 1/20 0.32
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
KMT2A Q03164 1/20 0.31
PLA2G2D Q9UNK4 1/20 0.30

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
SCHEMBL20990658 1.00 PPARD (0.47) PPARDTSHRCYP3A4TP53TDP1
SCHEMBL161421 1.00 PPARD (0.47) PPARDTSHRCYP3A4TP53TDP1
SCHEMBL2417030 0.98 PPARD (0.48) PPARDTSHRCYP3A4TP53TDP1
SCHEMBL4882046 0.89 PPARD (0.56) PPARDTSHRCYP3A4TP53TDP1
SCHEMBL4881306 0.89 PPARD (0.56) PPARDTSHRCYP3A4TP53TDP1
SCHEMBL23430674 0.85 PPARD (0.52) PPARDTSHRCYP3A4TP53TDP1
SCHEMBL3220479 0.83 PPARD (0.50) PPARDTSHRCYP3A4TP53TDP1
SCHEMBL14007050 0.82 PPARD (0.48) PPARDTSHRCYP3A4TP53TDP1
SCHEMBL23786286 0.81 PPARD (0.52) PPARDTSHRCYP3A4TP53TDP1
SCHEMBL4164665 0.81 PPARD (0.56) PPARDTSHRTP53TDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160213776-A1 ADSORPTION OF IMMUNOPOTENTIATORS TO INSOLUBLE METAL SALTS GLAXOSMITHKLINE BIOLOGICALS SA (BE) 2016-07-28 US disclosed
US-20160213776-A1 ADSORPTION OF IMMUNOPOTENTIATORS TO INSOLUBLE METAL SALTS GLAXOSMITHKLINE BIOLOGICALS SA (BE) 2016-07-28 US disclosed
US-9365506-B2 Compounds and compositions as TLR2 agonists NOVARTIS AG (CH) 2016-06-14 US disclosed
US-9315530-B2 Adsorption of immunopotentiators to insoluble metal salts NOVARTIS AG (CH) 2016-04-19 US disclosed
US-9315530-B2 Adsorption of immunopotentiators to insoluble metal salts NOVARTIS AG (CH) 2016-04-19 US disclosed
US-20140323390-A1 COMPOUNDS AND COMPOSITIONS AS TLR2 AGONISTS IRM LLC (BM) 2014-10-30 US disclosed
US-8808703-B2 Compounds (cystein based lipopeptides) and compositions as TLR2 agonists used for treating infections, inflammations, respiratory diseases etc NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2014-08-19 US disclosed
US-20130274465-A1 ADSORPTION OF IMMUNOPOTENTIATORS TO INSOLUBLE METAL SALTS IRM LLC (BM) 2013-10-17 US disclosed
US-20130274465-A1 ADSORPTION OF IMMUNOPOTENTIATORS TO INSOLUBLE METAL SALTS IRM LLC (BM) 2013-10-17 US disclosed
US-20130065861-A1 COMPOUNDS (CYSTEIN BASED LIPOPEPTIDES) AND COMPOSITIONS AS TLR2 AGONISTS USED FOR TREATING INFECTIONS, INFLAMMATIONS, RESPIRATORY DISEASES ETC. IRM LLC (BM) 2013-03-14 US disclosed
EP-2549990-A1 COMPOUNDS (CYSTEIN BASED LIPOPEPTIDES) AND COMPOSITIONS AS TLR2 AGONISTS USED FOR TREATING INFECTIONS, INFLAMMATIONS, RESPIRATORY DISEASES ETC. IRM LLC (BM) 2013-01-30 EP disclosed
US-20120177681-A1 Formulation of immunopotentiators GLAXOSMITHKLINE BIOLOGICALS SA (BE) 2012-07-12 US disclosed
US-20120177681-A1 Formulation of immunopotentiators GLAXOSMITHKLINE BIOLOGICALS SA (BE) 2012-07-12 US disclosed
WO-2011119759-A1 COMPOUNDS (CYSTEIN BASED LIPOPEPTIDES) AND COMPOSITIONS AS TLR2 AGONISTS USED FOR TREATING INFECTIONS, INFLAMMATIONS, RESPIRATORY DISEASES ETC. IRM LLC (BM) 2011-09-29 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 (5 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-20140323390-A1 COMPOUNDS AND COMPOSITIONS AS TLR2 AGONISTS TLR2, TLR1, TLR3 PPARD 219/4885TSHR 1558/4885CYP3A4 4591/4885
US-20130065861-A1 COMPOUNDS (CYSTEIN BASED LIPOPEPTIDES) AND COMPOSITIONS AS TLR2 AGONISTS USED FOR TREATING INFECTIONS, INFLAMMATIONS, RESPIRATORY DISEASES ETC. TLR2, TLR4, TLR3 PPARD 192/4885TSHR 2475/4885CYP3A4 2766/4885
US-20130274465-A1 ADSORPTION OF IMMUNOPOTENTIATORS TO INSOLUBLE METAL SALTS CD69, CD209, CD4 PPARD 2900/4885TSHR 3024/4885CYP3A4 2670/4885
US-20120177681-A1 Formulation of immunopotentiators CD69, CD4, ICOS PPARD 2623/4885TSHR 2960/4885CYP3A4 2345/4885
US-20160213776-A1 ADSORPTION OF IMMUNOPOTENTIATORS TO INSOLUBLE METAL SALTS CD69, CD209, CD4 PPARD 2900/4885TSHR 3024/4885CYP3A4 2670/4885

“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.