SCHEMBL162663

SCHEMBL162663

Nc1nc(OCCOCCC(F)(F)P(=O)(O)O)nc2c1[nH]c(=O)n2Cc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 17/20 0.67
NUDT1 P36639 2/20 0.67
IL6 P05231 2/20 0.53

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
SCHEMBL10311301 0.83 TLR7 (0.66) TLR7NUDT1IL6
SCHEMBL160485 0.81 TLR7 (0.74) TLR7NUDT1IL6
SCHEMBL1641626 0.81 TLR7 (1.00) TLR7NUDT1IL6
SCHEMBL29381054 0.81 TLR7 (1.00) TLR7NUDT1IL6
SCHEMBL10311321 0.78 TLR7 (0.45) TLR7NUDT1
SCHEMBL20740720 0.77 TLR7 (1.00) TLR7NUDT1IL6
SCHEMBL162571 0.77 TLR7 (0.69) TLR7NUDT1IL6
SCHEMBL10090897 0.76 TLR7 (0.78) TLR7NUDT1IL6
SCHEMBL1146177 0.75 TLR7 (0.85) TLR7NUDT1IL6
SCHEMBL29997135 0.74 TLR7 (0.82) TLR7NUDT1IL6

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 8 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-9315530-B2 Adsorption of immunopotentiators to insoluble metal salts NOVARTIS AG (CH) 2016-04-19 US disclosed
EP-2719395-A1 Adsorption of immunopotentiators to insoluble metal salts Novartis AG (CH) 2014-04-16 EP disclosed
EP-2480253-B1 ADSORPTION OF IMMUNOPOTENTIATORS TO INSOLUBLE METAL SALTS NOVARTIS AG (CH) 2014-01-22 EP disclosed
EP-2480253-B1 ADSORPTION OF IMMUNOPOTENTIATORS TO INSOLUBLE METAL SALTS NOVARTIS AG (CH) 2014-01-22 EP disclosed
US-20130274465-A1 ADSORPTION OF IMMUNOPOTENTIATORS TO INSOLUBLE METAL SALTS IRM LLC (BM) 2013-10-17 US disclosed
EP-2480253-A1 ADSORPTION OF IMMUNOPOTENTIATORS TO INSOLUBLE METAL SALTS Novartis AG (CH) 2012-08-01 EP disclosed
WO-2012031140-A1 ADSORPTION OF IMMUNOPOTENTIATORS TO INSOLUBLE METAL SALTS NOVARTIS AG (CH) 2012-03-08 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-20130274465-A1 ADSORPTION OF IMMUNOPOTENTIATORS TO INSOLUBLE METAL SALTS CD69, CD209, CD4 TLR7 776/4885NUDT1 749/4885IL6 699/4885
US-20160213776-A1 ADSORPTION OF IMMUNOPOTENTIATORS TO INSOLUBLE METAL SALTS CD69, CD209, CD4 TLR7 776/4885NUDT1 749/4885IL6 699/4885

“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.