SCHEMBL6530467

SCHEMBL6530467

O=C(O)[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O[C@H]1[C@@H](O)[C@H](n2ccc(=O)[nH]c2=O)O[C@@H]1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC28A1 O00337 1/20 0.54
SLC28A2 O43868 1/20 0.54
SLC29A1 Q99808 1/20 0.54
SLC28A3 Q9HAS3 1/20 0.54
P2RY14 Q15391 3/20 0.48
P2RY2 P41231 12/20 0.48
P2RY6 Q15077 9/20 0.48
P2RY4 P51582 4/20 0.48
ENTPD2 Q9Y5L3 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
SCHEMBL437017 0.87 SLC28A1 (0.63) SLC28A1SLC28A2SLC29A1SLC28A3P2RY14
SCHEMBL525149 0.87 SLC28A1 (0.63) SLC28A1SLC28A2SLC29A1SLC28A3P2RY14
SCHEMBL30915796 0.82 SLC28A1 (0.49) SLC28A1SLC28A2SLC29A1SLC28A3P2RY14
Phosphoric Acid SCHEMBL27939255 0.82 P2RY14 (0.61) SLC28A1SLC28A2SLC29A1SLC28A3P2RY14
SCHEMBL6875211 0.81 P2RY2 (0.60) P2RY14P2RY2P2RY6P2RY4
SCHEMBL18877356 0.81 SLC28A1 (0.52) SLC28A1SLC28A2SLC29A1SLC28A3P2RY14
SCHEMBL29885070 0.80 SLC28A1 (0.54) SLC28A1SLC28A2SLC29A1SLC28A3P2RY14
SCHEMBL8772850 0.79 SLC28A1 (0.56) SLC28A1SLC28A2SLC29A1SLC28A3P2RY14
SCHEMBL19224125 0.78 SLC28A1 (0.43) SLC28A1SLC28A2SLC29A1SLC28A3P2RY14
SCHEMBL14384430 0.77 SLC28A1 (0.61) SLC28A1SLC28A2SLC29A1SLC28A3P2RY14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050123533-A1 Prodrugs activated by targeted catalytic proteins WELLSTAT BIOCATALYSIS, LLC 2005-06-09 US disclosed
US-6702705-B1 Prodrugs activated by targeted catalytic proteins IGEN INTERNATIONAL, INC. 2004-03-09 US disclosed
US-20030096765-A1 Prodrugs activated by targeted catalytic proteins IGEN, INC. 2003-05-22 US disclosed
US-6258360-B1 BENZOATE CONJUGATES; ANTITUMOR AGENTS IGEN INTERNATIONAL, INC. 2001-07-10 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-20050123533-A1 Prodrugs activated by targeted catalytic proteins DNPH1, DNPEP, PNP SLC28A1 2502/4885SLC28A2 2810/4885SLC29A1 823/4885
US-20030096765-A1 Prodrugs activated by targeted catalytic proteins DNPH1, DNPEP, PNP SLC28A1 2502/4885SLC28A2 2810/4885SLC29A1 823/4885

“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.