SCHEMBL174007

SCHEMBL174007

COCCOc1cc2c([nH]c(=O)n2Cc2ccc(OCCCCP(=O)(O)O)cc2)c(N)n1

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 19/20 0.48
NUDT1 P36639 1/20 0.47
ADORA1 P30542 2/20 0.43
IL6 P05231 2/20 0.43

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
SCHEMBL174740 0.87 TLR7 (0.52) TLR7NUDT1ADORA1
SCHEMBL255113 0.83 TLR7 (0.63) TLR7
SCHEMBL15318634 0.83 TLR7 (0.50) TLR7ADORA1IL6
SCHEMBL10311313 0.83 TLR7 (0.70) TLR7NUDT1IL6
SCHEMBL12164371 0.83 TLR7 (0.66) TLR7NUDT1
SCHEMBL255235 0.80 TLR7 (0.49) TLR7NUDT1ADORA1
SCHEMBL15692268 0.78 TLR7 (0.54) TLR7NUDT1IL6
SCHEMBL12800196 0.76 TLR7 (0.48) TLR7NUDT1IL6
SCHEMBL162571 0.76 TLR7 (0.69) TLR7NUDT1IL6
SCHEMBL10311320 0.76 TLR7 (0.49) 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
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
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 749/4885ADORA1 815/4885
US-20160213776-A1 ADSORPTION OF IMMUNOPOTENTIATORS TO INSOLUBLE METAL SALTS CD69, CD209, CD4 TLR7 776/4885NUDT1 749/4885ADORA1 815/4885

“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.