SCHEMBL12028680

SCHEMBL12028680

COCCNCc1cccc(CC(=O)OC)c1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.55
TLR7 Q9NYK1 3/20 0.48
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
GAA P10253 1/20 0.43
GFER P55789 1/20 0.43
CHEK1 O14757 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSP90AB1 P08238 1/20 0.42
CHRM2 P08172 1/20 0.42
HDAC1 Q13547 1/20 0.42
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
DRD2 P14416 1/20 0.41
ADRA1D P25100 1/20 0.41
PRKD1 Q15139 1/20 0.41

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
SCHEMBL5523777 0.90 SLC7A5 (0.45) SLC7A5TLR7ALDH1A1MEN1KMT2A
SCHEMBL12028729 0.87 SLC7A5 (0.56) SLC7A5TLR7ALDH1A1MEN1KMT2A
Oxalic Acid SCHEMBL5523774 0.86 KMT2A (0.51) ALDH1A1MEN1KMT2AKDM4EGAA
SCHEMBL10243056 0.85 DRD4 (0.60) SLC7A5ALDH1A1MEN1KMT2AKDM4E
SCHEMBL12400239 0.82 SLC7A5 (0.68) SLC7A5TLR7ALDH1A1KDM4EGAA
SCHEMBL12028692 0.80 SLC7A5 (0.57) SLC7A5TLR7ALDH1A1MEN1KMT2A
SCHEMBL4165717 0.78 CHEK1 (0.50) SLC7A5ALDH1A1MEN1KMT2AKDM4E
SCHEMBL4165712 0.78 MMP13 (0.48) ALDH1A1MEN1KMT2AKDM4EL3MBTL1
SCHEMBL26690016 0.78 SLC7A5 (0.59) SLC7A5TLR7ALDH1A1KDM4EL3MBTL1
SCHEMBL23004942 0.78 SLC7A5 (0.47) SLC7A5TLR7ALDH1A1

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 13 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-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-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-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-20110306610-A1 9-SUBSTITUTED 8-OXOADENINE COMPOUND ASTRAZENECA AKTIEBOLAG (SE) 2011-12-15 US disclosed
US-8012964-B2 9-substituted 8-oxoadenine compound DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2011-09-06 US disclosed
US-8012964-B2 9-substituted 8-oxoadenine compound DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2011-09-06 US disclosed
US-20070190071-A1 9-Substituted 8-oxoadenine compound DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-08-16 US disclosed
US-20070190071-A1 9-Substituted 8-oxoadenine compound DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-08-16 US 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 156/4885TLR7 8/4885ALDH1A1 3672/4885
US-20070190071-A1 9-Substituted 8-oxoadenine compound IFNAR1, IL5, IFNG SLC7A5 156/4885TLR7 8/4885ALDH1A1 3672/4885
US-20140045837-A1 9-Substituted 8-Oxoadenine Compound IFNAR1, IL5, IFNG SLC7A5 81/4885TLR7 13/4885ALDH1A1 3447/4885

“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.