SCHEMBL4386265

SCHEMBL4386265

CC(=O)OCC1OC(n2cnc3c(=O)[nH]c(N)nc32)C(OC(C)=O)C1OC(C)=O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.68
LMNA P02545 2/20 0.66
TP53 P04637 1/20 0.66
MAPT P10636 1/20 0.66
TDP1 Q9NUW8 1/20 0.66
HINT1 P49773 6/20 0.61
GSK3A P49840 2/20 0.56
RPS6KA3 P51812 2/20 0.56
MAPK14 Q16539 2/20 0.56
TAS1R3 Q7RTX0 1/20 0.54
TAS1R1 Q7RTX1 1/20 0.54
PNP P00491 1/20 0.53
NT5E P21589 1/20 0.52
THRB P10828 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
HIF1A Q16665 1/20 0.52
PRKAB2 O43741 1/20 0.51
PRKAG1 P54619 1/20 0.51
PRKAA2 P54646 1/20 0.51
PRKAA1 Q13131 1/20 0.51

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
SCHEMBL314536 1.00 ALDH1A1 (0.68) ALDH1A1LMNATP53MAPTTDP1
SCHEMBL3422978 1.00 ALDH1A1 (0.68) ALDH1A1LMNATP53MAPTTDP1
SCHEMBL278167 1.00 ALDH1A1 (0.68) ALDH1A1LMNATP53MAPTTDP1
SCHEMBL1120690 1.00 ALDH1A1 (0.68) ALDH1A1LMNATP53MAPTTDP1
SCHEMBL1061031 1.00 ALDH1A1 (0.68) ALDH1A1LMNATP53MAPTTDP1
SCHEMBL25407962 1.00 ALDH1A1 (0.68) ALDH1A1LMNATP53MAPTTDP1
SCHEMBL13462039 1.00 ALDH1A1 (0.68) ALDH1A1LMNATP53MAPTTDP1
SCHEMBL14144174 1.00 ALDH1A1 (0.68) ALDH1A1LMNATP53MAPTTDP1
SCHEMBL13296251 1.00 ALDH1A1 (0.68) ALDH1A1LMNATP53MAPTTDP1
SCHEMBL16809000 0.95 ALDH1A1 (0.63) ALDH1A1LMNATP53MAPTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1537135-B1 ADENOSINE A3 RECEPTOR AGONISTS CV THERAPEUTICS INC (US) 2009-11-25 EP disclosed
US-7385051-B2 Fluorescent N2,N3-etheno-purine (2′-deoxy) riboside derivatives and uses thereof BAR-LLAN UNIVERSITY (IL) 2008-06-10 US disclosed
US-7385051-B2 Fluorescent N2,N3-etheno-purine (2′-deoxy) riboside derivatives and uses thereof BAR-LLAN UNIVERSITY (IL) 2008-06-10 US disclosed
US-6914053-B2 Adenosine A3 receptor agonists CV THERAPEUTICS, INC. (US) 2005-07-05 US disclosed
EP-1537135-A2 ADENOSINE A3 RECEPTOR AGONISTS CV THERAPEUTICS, INC. (US) 2005-06-08 EP disclosed
US-20040121978-A1 Adenosine A3 receptor agonists CV THERAPEUTICS, INC. 2004-06-24 US disclosed
WO-2004022573-A2 ADENOSINE A3 RECEPTOR AGONISTS CV THERAPEUTICS, INC. (US) 2004-03-18 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-20040121978-A1 Adenosine A3 receptor agonists ADORA3, ADORA2A, ADORA1 ALDH1A1 811/4885LMNA 2972/4885TP53 1698/4885

“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.