SCHEMBL716606

SCHEMBL716606

CC(=O)OC[C@H]1O[C@@H](n2cnc3c(Nc4cccc(O)c4)ncnc32)[C@H](OC(C)=O)[C@@H]1OC(C)=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKAB2 O43741 1/20 1.00
▸ PRKAG1 P54619 1/20 1.00
▸ PRKAA2 P54646 1/20 1.00
▸ PRKAA1 Q13131 1/20 1.00
▸ PRKAG3 Q9UGI9 1/20 1.00
▸ PRKAG2 Q9UGJ0 1/20 1.00
▸ PRKAB1 Q9Y478 1/20 1.00
▸ LMNA P02545 3/20 0.53
▸ ALDH1A1 P00352 2/20 0.53
▸ TP53 P04637 1/20 0.53
▸ MAPT P10636 1/20 0.53
▸ TDP1 Q9NUW8 1/20 0.53
▸ ADORA1 P30542 3/20 0.48
▸ ADORA3 P0DMS8 2/20 0.48
▸ DNPH1 O43598 1/20 0.48
▸ GLA P06280 1/20 0.47
▸ PMP22 Q01453 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ NPY1R P25929 1/20 0.47

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
SCHEMBL29611296 1.00 PRKAB2 (1.00) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL19236034 1.00 PRKAB2 (1.00) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL10001662 1.00 PRKAB2 (1.00) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL19630453 0.93 PRKAB2 (0.87) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL20880463 0.92 PRKAB2 (0.85) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL10001663 0.92 PRKAB2 (0.85) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL14922196 0.91 PRKAB2 (0.83) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL20663726 0.90 PRKAB2 (0.81) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL20663730 0.90 PRKAB2 (0.81) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL19236026 0.84 PRKAB2 (0.73) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3

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
CN-112979734-B Crystal form of triacetyl-3-hydroxy phenyl adenosine, preparation method and application thereof 北京谷神生命健康科技有限公司 2024-01-02 — — CN 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
CN-112979734-B Crystal form of triacetyl-3-hydroxy phenyl adenosine, preparation method and application thereof 北京谷神生命健康科技有限公司 2024-01-02 — — CN disclosed
CN-112979734-B Crystal form of triacetyl-3-hydroxy phenyl adenosine, preparation method and application thereof 北京谷神生命健康科技有限公司 2024-01-02 — — CN disclosed
WO-2017202297-A1 APPLICATIONS OF TRIACETYL-3-HYDROXYL PHENYL ADENOSINE IN TREATING VASCULAR INFLAMMATIONS OR IMPROVING VASCULAR ENDOTHELIUM FUNCTIONS 江苏天士力帝益药业有限公司 2017-11-30 — — WO disclosed
CN-104211747-A Preparation and medical applications of 5'-phosphoric acid-N6-(3-hydroxylphenyl)adenosine INST MATERIA MEDICA CAMS 2014-12-17 — — CN disclosed
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-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
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
CN-101874036-B Triacetyl-3-hydroxyphenyl adenosine and its use in regulating blood fat INST MATERIA MEDICA CAMS 2012-01-25 — — CN 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-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
CN-101874036-A Triacetyl-3-hydroxyphenyl adenosine and its use in regulating blood fat INST OF MATARIA MEDICA CHINESE 2010-10-27 — — CN disclosed
WO-2010040286-A1 TRIACETYL-3-HYDROXYPHENYLADENOSINE AND ITS USE FOR REGULATING BLOOD FAT 中国医学科学院药物研究所 (CN) 2010-04-15 — — 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 (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 PRKAB2 678/4885PRKAG1 496/4885PRKAA2 660/4885

“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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