SCHEMBL720980

SCHEMBL720980

CC(=O)OC(C(C)=O)(C(C)=O)[C@H]1O[C@@H](n2cnc3c(O)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ AHCY P23526 5/20 0.46
▸ ADORA2B P29275 4/20 0.45
▸ ADORA3 P0DMS8 4/20 0.45
▸ ADORA2A P29274 3/20 0.44
▸ HSP90B1 P14625 3/20 0.44
▸ HIF1A Q16665 1/20 0.44
▸ TMEM97 Q5BJF2 1/20 0.44
▸ SIGMAR1 Q99720 1/20 0.44
▸ ADORA1 P30542 2/20 0.44
▸ TSHR P16473 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ THRB P10828 1/20 0.44
▸ BLM P54132 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ HSP90AA1 P07900 1/20 0.44

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
SCHEMBL313550 0.89 AHCY (0.60) AHCYADORA2BADORA3ADORA2AHSP90B1
SCHEMBL719136 0.81 PRKAB2 (0.61) ADORA2BADORA3ADORA2AADORA1TSHR
SCHEMBL9052982 0.79 MARS1 (0.56) ADORA2BADORA3ADORA2AADORA1
SCHEMBL29387664 0.79 MARS1 (0.56) ADORA2BADORA3ADORA2AADORA1
SCHEMBL1120568 0.77 HINT1 (0.59) —
SCHEMBL28162353 0.76 P2RY1 (0.47) AHCYADORA2BADORA3ADORA2AHSP90B1
SCHEMBL31236215 0.75 AHCY (0.50) AHCYADORA2BADORA3ADORA2AHSP90B1
SCHEMBL8327426 0.75 ADORA3 (0.70) AHCYADORA2BADORA3ADORA2AHSP90B1
SCHEMBL8327434 0.75 ADORA3 (0.70) AHCYADORA2BADORA3ADORA2AHSP90B1
SCHEMBL12813018 0.74 DNMT1 (0.57) AHCYADORA2BADORA3ADORA2AHSP90B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2407474-B1 TRIACETYL-3-HYDROXYPHENYLADENOSINE AND ITS USE FOR REGULATING BLOOD FAT INST MATERIA MEDICA CAMS (CN) 2013-08-14 — — EP claimed
US-8435962-B2 Triacetyl-3-hydroxyphenyladenosine and its use for regulating blood fat INSTITUTE OF MATARIA MEDICA, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2013-05-07 — — US claimed
US-20120053143-A1 TRIACETYL-3-HYDROXYPHENYLADENOSINE AND ITS USE FOR REGULATING BLOOD FAT INSTITUTE OF MATARIA MEDICA, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2012-03-01 — — US claimed
EP-2407474-A1 TRIACETYL-3-HYDROXYPHENYLADENOSINE AND ITS USE FOR REGULATING BLOOD FAT INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2012-01-18 — — EP claimed
EP-2407474-B1 TRIACETYL-3-HYDROXYPHENYLADENOSINE AND ITS USE FOR REGULATING BLOOD FAT INST MATERIA MEDICA CAMS (CN) 2013-08-14 — — EP disclosed
US-8435962-B2 Triacetyl-3-hydroxyphenyladenosine and its use for regulating blood fat INSTITUTE OF MATARIA MEDICA, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2013-05-07 — — US disclosed
US-20120053143-A1 TRIACETYL-3-HYDROXYPHENYLADENOSINE AND ITS USE FOR REGULATING BLOOD FAT INSTITUTE OF MATARIA MEDICA, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2012-03-01 — — US disclosed
EP-2407474-A1 TRIACETYL-3-HYDROXYPHENYLADENOSINE AND ITS USE FOR REGULATING BLOOD FAT INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2012-01-18 — — EP disclosed
EP-0191624-A2 Gold-purine antitumor agents ENGELHARD CORPORATION (US) 1986-08-20 — — 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-20120053143-A1 TRIACETYL-3-HYDROXYPHENYLADENOSINE AND ITS USE FOR REGULATING BLOOD FAT ADORA3, ADORA2A, ADORA1 AHCY 17/4885ADORA2B 5/4885ADORA3 1/4885

“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.

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