SCHEMBL5528751

SCHEMBL5528751

O=C(Cc1cccc(CNCCO)c1)OC(=O)C(=O)OC(=O)Cc1cccc(CNCCO)c1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.42
PDCD1 Q15116 4/20 0.39
CD274 Q9NZQ7 4/20 0.39
TLR7 Q9NYK1 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
VSIR Q9H7M9 2/20 0.37
POLB P06746 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CHRM2 P08172 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
USP28 Q96RU2 1/20 0.36
USP25 Q9UHP3 1/20 0.36

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
SCHEMBL12028729 0.87 SLC7A5 (0.56) SLC7A5PDCD1CD274TLR7SMN1; SMN2
SCHEMBL5523777 0.85 SLC7A5 (0.45) SLC7A5PDCD1CD274TLR7MEN1
SCHEMBL10859843 0.80 PDCD1 (0.53) PDCD1CD274SMN1; SMN2VSIRMEN1
SCHEMBL5528738 0.80 SLC7A5 (0.44) SLC7A5SMN1; SMN2MEN1KMT2AKDM4E
Oxalic Acid SCHEMBL5528746 0.79 MEN1 (0.44) PDCD1CD274SMN1; SMN2POLBMEN1
SCHEMBL2389438 0.74 MEN1 (0.41) PDCD1CD274VSIRPOLBMEN1
SCHEMBL12028680 0.73 SLC7A5 (0.55) SLC7A5TLR7SMN1; SMN2MEN1KMT2A
SCHEMBL14294259 0.73 PDCD1 (0.50) PDCD1CD274SMN1; SMN2VSIRPOLB
SCHEMBL7023370 0.73 ENPP2 (0.47) PDCD1CD274SMN1; SMN2VSIRMEN1
SCHEMBL14793785 0.72 MEP1B (0.63) PDCD1CD274

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1728793-B1 9-SUBSTITUTED 8-OXOADENINE COMPOUND SUMITOMO DAINIPPON PHARMA CO LTD (JP) 2016-02-03 EP disclosed
US-8969362-B2 9-substituted 8-oxoadenine compound ASTRAZENECA AKTIEBOLAG (SE) 2015-03-03 US disclosed
US-20140045837-A1 9-Substituted 8-Oxoadenine Compound ASTRAZENECA AKTIEBOLAG (SE) 2014-02-13 US disclosed
US-8575180-B2 9-substituted 8-oxoadenine compound ASTRAZENECA AKTIEBOLAG (SE) 2013-11-05 US disclosed
US-20110306610-A1 9-SUBSTITUTED 8-OXOADENINE COMPOUND ASTRAZENECA AKTIEBOLAG (SE) 2011-12-15 US disclosed
US-20070190071-A1 9-Substituted 8-oxoadenine compound DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-08-16 US disclosed
EP-1728793-A1 9-SUBSTITUTED 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 (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-20110306610-A1 9-SUBSTITUTED 8-OXOADENINE COMPOUND IFNAR1, IL5, IFNG SLC7A5 156/4885PDCD1 2125/4885CD274 1257/4885
US-20070190071-A1 9-Substituted 8-oxoadenine compound IFNAR1, IL5, IFNG SLC7A5 156/4885PDCD1 2125/4885CD274 1257/4885
US-20140045837-A1 9-Substituted 8-Oxoadenine Compound IFNAR1, IL5, IFNG SLC7A5 81/4885PDCD1 2357/4885CD274 1613/4885

“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.