SCHEMBL10001663

SCHEMBL10001663

CC(=O)OCC1OC(n2cnc3c(Nc4cccc(C)c4)ncnc32)C(OC(C)=O)C1OC(C)=O

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKAB2 O43741 1/20 0.85
▸ PRKAG1 P54619 1/20 0.85
▸ PRKAA2 P54646 1/20 0.85
▸ PRKAA1 Q13131 1/20 0.85
▸ PRKAG3 Q9UGI9 1/20 0.85
▸ PRKAG2 Q9UGJ0 1/20 0.85
▸ PRKAB1 Q9Y478 1/20 0.85
▸ 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
▸ 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
▸ HTT P42858 1/20 0.47
▸ NPY2R P49146 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
SCHEMBL716606 0.92 PRKAB2 (1.00) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL29611296 0.92 PRKAB2 (1.00) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL19236034 0.92 PRKAB2 (1.00) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL10001662 0.92 PRKAB2 (1.00) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL14922196 0.91 PRKAB2 (0.83) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL20663726 0.90 PRKAB2 (0.81) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL19630453 0.85 PRKAB2 (0.87) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL20880463 0.84 PRKAB2 (0.85) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL31685604 0.84 PRKAB2 (0.71) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL30166048 0.83 PRKAB2 (0.62) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3431091-A1 USE OF TRIACETYL-3-HYDROXYPHENYLADENOSINE IN PREPARING PHARMACEUTICALS FOR TREATMENT OF ATHEROSCLEROSIS Jiangsu Tasly Diyi Pharmaceutical Co., Ltd. (CN) 2019-01-23 — — 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

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.

Send feedback