SCHEMBL6243153

SCHEMBL6243153

CC(=O)OC[C@@H]1CC[C@H](n2cnc3c(N)ncnc32)O1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.55
ADA P00813 1/20 0.50
HSP90B1 P14625 1/20 0.49
MAPK1 P28482 2/20 0.49
ALDH1A1 P00352 2/20 0.49
NFKB1 P19838 2/20 0.49
BLM P54132 2/20 0.49
TP53 P04637 1/20 0.49
CYP2C9 P11712 1/20 0.49
HSD17B10 Q99714 1/20 0.49
MEN1 O00255 1/20 0.49
APEX1 P27695 1/20 0.49
PI4KA P42356 1/20 0.49
KMT2A Q03164 1/20 0.49
ADCY1 Q08828 1/20 0.49
PI4K2B Q8TCG2 1/20 0.49
PI4K2A Q9BTU6 1/20 0.49
PI4KB Q9UBF8 1/20 0.49
ADORA2A P29274 1/20 0.47
AHCY P23526 4/20 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
SCHEMBL21427226 1.00 BCHE (0.55) BCHEADAHSP90B1MAPK1ALDH1A1
SCHEMBL9407393 0.89 BCHE (0.55) BCHEADAHSP90B1MAPK1ALDH1A1
SCHEMBL9407394 0.89 BCHE (0.55) BCHEADAHSP90B1MAPK1ALDH1A1
SCHEMBL9121390 0.88 ALDH1A1 (0.45) BCHEADAHSP90B1MAPK1ALDH1A1
SCHEMBL9371177 0.88 BCHE (0.52) BCHEADAHSP90B1MAPK1ALDH1A1
SCHEMBL24021895 0.87 ALDH1A1 (0.45) BCHEMAPK1ALDH1A1TP53LMNA
SCHEMBL22524135 0.85 BCHE (0.57) BCHEADAMAPK1ALDH1A1NFKB1
SCHEMBL20624631 0.85 BCHE (0.57) BCHEADAMAPK1ALDH1A1NFKB1
SCHEMBL23516968 0.85 BCHE (0.57) BCHEADAMAPK1ALDH1A1NFKB1
SCHEMBL4745241 0.85 BCHE (0.57) BCHEADAMAPK1ALDH1A1NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023178017-A1 DEACYLATION OF CARBOHYDRATE COMPOUNDS ELYSIUM HEALTH INC. (US) 2023-09-21 WO disclosed
US-20210338706-A1 ADENOSINE ANALOG AND ITS USE IN REGULATING THE CIRCADIAN CLOCK NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2021-11-04 US disclosed
WO-2020165600-A1 BICYCLIC PEPTIDE LIGAND STING CONJUGATES AND USES THEREOF BICYCLETX LIMITED (GB) 2020-08-20 WO disclosed
US-20050171126-A1 Process for the production of purine nucleoside compounds AJINOMOTO CO., INC. (JP) 2005-08-04 US disclosed
EP-1550665-A1 A process for the production of purine nucleoside compounds Ajinomoto Co., Inc. (JP) 2005-07-06 EP disclosed
US-5466793-A Catalytic reducing of a nucleoside with hydrogen in the presence of palladium and recovering AJINOMOTO CO., INC. (JP) 1995-11-14 US disclosed
US-5290927-A Process for preparing 2',3'-dideoxyadenosine AJINOMOTO CO., INC. (JP) 1994-03-01 US disclosed
US-5106962-A Reacting nucleosides with viologens in the presence of base AJINOMOTO CO., INC. (JP) 1992-04-21 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 (2 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-20050171126-A1 Process for the production of purine nucleoside compounds PNP, NUDT1, UMPS BCHE 871/4885ADA 27/4885HSP90B1 3906/4885
US-20210338706-A1 ADENOSINE ANALOG AND ITS USE IN REGULATING THE CIRCADIAN CLOCK PER2, CRY1, ADORA2A BCHE 2579/4885ADA 12/4885HSP90B1 4715/4885

“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.