SCHEMBL174467

SCHEMBL174467

CCOC(=O)N1CC(N)=Nc2cc(-c3ccc(P(=O)(O)O)cc3)ccc2C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
P2RY12 Q9H244 3/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HRH2 P25021 6/20 0.35
HRH1 P35367 6/20 0.35
MEN1 O00255 2/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPT P10636 2/20 0.34
RAB9A P51151 2/20 0.34
KMT2A Q03164 2/20 0.34
MAPK1 P28482 1/20 0.34
MDM2 Q00987 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
F2 P00734 3/20 0.33
F10 P00742 2/20 0.33
MAP3K5 Q99683 1/20 0.33
CTSD P07339 2/20 0.33
ABHD6 Q9BV23 1/20 0.32

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
SCHEMBL11975683 0.81 DPP8 (0.41) MEN1ALDH1A1MAPTRAB9AKMT2A
SCHEMBL2090954 0.75 MAPT (0.45) HRH1MEN1ALDH1A1MAPTRAB9A
SCHEMBL10047200 0.74 HPGD (0.39) MEN1ALDH1A1MAPTKMT2ACTSD
SCHEMBL10047202 0.68 NOS3 (0.39) P2RY12MEN1ALDH1A1MAPTRAB9A
SCHEMBL10343263 0.65 TLR8 (0.43) TLR8MEN1ALDH1A1KMT2AMAPK1
SCHEMBL1754463 0.65 PRMT5 (0.43) HRH1MEN1ALDH1A1KMT2A
SCHEMBL6677698 0.63 NOTUM (0.57) MEN1ALDH1A1MAPTRAB9AKMT2A
SCHEMBL12879433 0.63 ABHD6 (0.57) HRH2HRH1MEN1ALDH1A1MAPT
SCHEMBL24444350 0.62 TLR8 (0.41) TLR8MEN1ALDH1A1RAB9AKMT2A
SCHEMBL24007590 0.62 HPGD (0.45) TLR8MEN1ALDH1A1RAB9AKMT2A

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 16 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-9375471-B2 Adjuvanted formulations of booster vaccines GLAXOSMITHKLINE BIOLOGICALS SA (BE) 2016-06-28 US disclosed
US-9375471-B2 Adjuvanted formulations of booster vaccines GLAXOSMITHKLINE BIOLOGICALS SA (BE) 2016-06-28 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
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
US-20130274465-A1 ADSORPTION OF IMMUNOPOTENTIATORS TO INSOLUBLE METAL SALTS IRM LLC (BM) 2013-10-17 US disclosed
CN-103313725-A Adsorption of insoluble metal ions by immunopotentiators NOVARTIS AG 2013-09-18 CN disclosed
EP-2480253-A1 ADSORPTION OF IMMUNOPOTENTIATORS TO INSOLUBLE METAL SALTS Novartis AG (CH) 2012-08-01 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-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 (3 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 TLR8 1195/4885TLR7 776/4885P2RY12 3123/4885
US-20120177681-A1 Formulation of immunopotentiators CD69, CD4, ICOS TLR8 516/4885TLR7 324/4885P2RY12 2647/4885
US-20160213776-A1 ADSORPTION OF IMMUNOPOTENTIATORS TO INSOLUBLE METAL SALTS CD69, CD209, CD4 TLR8 1195/4885TLR7 776/4885P2RY12 3123/4885

“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.