SCHEMBL5168015

SCHEMBL5168015

CCCCC[C@]1(n2cnc3c(N)ncnc32)C[C@H](O)[C@@H](CO)O1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC28A1 O00337 2/20 0.50
ADORA2A P29274 4/20 0.48
ADORA3 P0DMS8 4/20 0.48
EHMT1 Q9H9B1 1/20 0.46
PI4KA P42356 4/20 0.43
PI4K2B Q8TCG2 4/20 0.43
PI4K2A Q9BTU6 4/20 0.43
PI4KB Q9UBF8 4/20 0.43
GMPS P49915 1/20 0.43
DPP4 P27487 1/20 0.43
MEN1 O00255 1/20 0.43
MAP3K7 O43318 1/20 0.43
SLC28A2 O43868 1/20 0.43
GAPDH P04406 1/20 0.43
MAPK1 P28482 1/20 0.43
ADORA2B P29275 1/20 0.43
ADORA1 P30542 1/20 0.43
STAT6 P42226 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL23647916 0.90 SLC28A1 (0.55) SLC28A1ADORA2AADORA3PI4KAPI4K2B
SCHEMBL29786250 0.89 SLC28A1 (0.54) SLC28A1ADORA2AADORA3PI4KAPI4K2B
SCHEMBL25222252 0.89 SLC28A1 (0.54) SLC28A1ADORA2AADORA3PI4KAPI4K2B
SCHEMBL1550156 0.85 ADORA3 (0.49) SLC28A1ADORA2AADORA3PI4KAPI4K2B
SCHEMBL28250706 0.84 ADORA3 (0.52) SLC28A1ADORA2AADORA3PI4KAPI4K2B
SCHEMBL5318774 0.82 SLC28A1 (0.54) SLC28A1ADORA2AADORA3PI4KAPI4K2B
SCHEMBL28748817 0.82 SLC28A1 (0.54) SLC28A1ADORA2AADORA3PI4KAPI4K2B
SCHEMBL28791555 0.82 P2RX1 (0.51) SMN1; SMN2
SCHEMBL9120616 0.82 SLC28A1 (0.49) SLC28A1ADORA2AADORA3EHMT1PI4KA
SCHEMBL7868209 0.81 SLC28A1 (0.47) SLC28A1ADORA2AADORA3EHMT1PI4KA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1032405-A4 ANTIMUTAGENIC COMPOSITIONS FOR TREATMENT AND PREVENTION OF PHOTODAMAGE TO SKIN WELLSTAT THERAPEUTICS CORP (US) 2007-05-02 EP claimed
US-20020006913-A1 ANTIMUTAGENIC COMPOSITIONS FOR TREATMENT AND PREVENTION OF PHOTODAMAGE TO SKIN PRO-NEURON, INC. 2002-01-17 US claimed
US-20010044421-A1 Administering to skin a composition containing deoxyribonucleosides in concentrations sufficient to enhance DNA repair or reduce mutation frequency in a vehicle capable of delivering deoxyribonucleosides to skin cells PRO-NEURON, INC. 2001-11-22 US claimed
US-20010044419-A1 Antimutagenic compositions for treatment and prevention of photodamage to skin PRO-NEURON, INC. 2001-11-22 US claimed
EP-1032405-A1 ANTIMUTAGENIC COMPOSITIONS FOR TREATMENT AND PREVENTION OF PHOTODAMAGE TO SKIN PRO-NEURON, INC. (US) 2000-09-06 EP claimed
WO-1999022741-A1 ANTIMUTAGENIC COMPOSITIONS FOR TREATMENT AND PREVENTION OF PHOTODAMAGE TO SKIN PRO-NEURON, INC. (US) 1999-05-14 WO claimed
US-20040192635-A1 Acyl deoxyribonucleoside derivatives and uses thereof WELLSTAT THERAPEUTICS CORPORATION (US) 2004-09-30 US disclosed
US-6743782-B1 ACYL DERIVATIVE OF 2'-DEOXYADENOSINE; TREATING OR PREVENTING RADIATION, MUTAGEN AND SUNLIGHT-INDUCED CELLULAR DAMAGE, IMPROVING WOUND HEALING AND TISSUE REPAIR, AMELIORATING THE EFFECTS OF AGING; ENHANCE BIOAVAILABILITY WELLSTAT THERAPEUTICS CORPORATION 2004-06-01 US disclosed
EP-1272501-A1 PROCESS FOR THE PREPARATION OF PHOSPHOROTHIOATE TRIESTERS Avecia Limited (GB) 2003-01-08 EP disclosed
WO-2001064702-A1 PROCESS FOR THE PREPARATION OF PHOSPHOROTHIOATE TRIESTERS AVECIA LIMITED (GB) 2001-09-07 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-20040192635-A1 Acyl deoxyribonucleoside derivatives and uses thereof UNG, OGG1, NQO1 SLC28A1 2678/4885ADORA2A 563/4885ADORA3 405/4885

“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.