SCHEMBL5459732

SCHEMBL5459732

COC(=O)Cc1cccc(Cn2c(O)nc3c(N)nc(SCCCO)nc32)c1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 9/20 0.45
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
GFER P55789 1/20 0.36
SLC7A5 Q01650 1/20 0.36
MAPK1 P28482 1/20 0.36
PCSK9 Q8NBP7 1/20 0.34

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
SCHEMBL5469562 0.97 TLR7 (0.44) TLR7ALDH1A1GAAGFERSLC7A5
SCHEMBL2060058 0.95 TLR7 (0.45) TLR7ALDH1A1GAAGFERSLC7A5
SCHEMBL5458033 0.93 TLR7 (0.51) TLR7
SCHEMBL5467077 0.90 TLR7 (0.50) TLR7ALDH1A1GAAGFERSLC7A5
SCHEMBL5464413 0.89 MAPK1 (0.40) TLR7MAPK1
SCHEMBL5458019 0.88 TLR7 (0.40) TLR7ALDH1A1GAAMAPK1
SCHEMBL5462434 0.86 MAPK1 (0.39) TLR7MAPK1
SCHEMBL2060384 0.86 TLR7 (0.43) TLR7ALDH1A1GAAGFERSLC7A5
SCHEMBL5468632 0.85 TLR7 (0.47) TLR7ALDH1A1GAAGFERSLC7A5
SCHEMBL5462348 0.85 TLR7 (0.45) TLR7ALDH1A1GAAGFERSLC7A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070225303-A1 8-Oxoadenine Compound DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-09-27 US claimed
EP-1728792-A1 8-OXOADENINE COMPOUND Dainippon Sumitomo Pharma Co., Ltd. (JP) 2006-12-06 EP claimed
US-20070225303-A1 8-Oxoadenine Compound DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-09-27 US disclosed
US-20070225303-A1 8-Oxoadenine Compound DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-09-27 US disclosed
US-20070225303-A1 8-Oxoadenine Compound DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-09-27 US disclosed
EP-1728792-A1 8-OXOADENINE COMPOUND Dainippon Sumitomo Pharma Co., Ltd. (JP) 2006-12-06 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 (1 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-20070225303-A1 8-Oxoadenine Compound TLR7, CCR8, TLR8 TLR7 1/4885ALDH1A1 1017/4885GAA 2372/4885

“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.