SCHEMBL1733393

SCHEMBL1733393

O=c1[nH]c(NCC=CCCP(=O)(O)O)nc2nc[nH]c12

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ XDH P47989 3/20 0.51
▸ GDA Q9Y2T3 1/20 0.48

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
SCHEMBL6836089 0.84 XDH (0.48) XDHGDA
SCHEMBL30361642 0.79 XDH (0.59) XDHGDA
SCHEMBL15545151 0.77 XDH (0.57) XDHGDA
SCHEMBL2249905 0.77 XDH (0.54) XDHGDA
SCHEMBL9960821 0.77 XDH (0.69) XDHGDA
SCHEMBL669008 0.76 XDH (0.61) XDHGDA
SCHEMBL5935074 0.74 XDH (0.78) XDHGDA
SCHEMBL216788 0.74 XDH (0.58) XDHGDA
SCHEMBL29454397 0.73 GDA (0.61) XDHGDA
Phosphoric Acid SCHEMBL27780171 0.72 GDA (0.59) XDHGDA

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
US-8222257-B2 Phosphono-pent-2-en-1-yl nucleosides and analogs THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-07-17 — — US claimed
EP-1866319-B1 PHOSPHONO-PENT-2-EN-1-YL NUCLEOSIDES AND ANALOGS UNIV CALIFORNIA (US) 2011-11-23 — — EP claimed
US-20090215726-A1 Phosphono-Pent-2-en-1-yl Nucleosides and Analogs NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-08-27 — — US claimed
US-20130018018-A1 NOVEL NUCLEOSIDE PHOSPHONATES AND ANALOGS Epiphany Biosciences ,Inc. (US) 2013-01-17 — — US disclosed
US-8222257-B2 Phosphono-pent-2-en-1-yl nucleosides and analogs THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-07-17 — — US disclosed
EP-1866319-B1 PHOSPHONO-PENT-2-EN-1-YL NUCLEOSIDES AND ANALOGS UNIV CALIFORNIA (US) 2011-11-23 — — EP disclosed
US-20090215726-A1 Phosphono-Pent-2-en-1-yl Nucleosides and Analogs NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-08-27 — — US disclosed
US-20090156545-A1 Substituted Phosphate Esters of Nucleoside Phosphonates THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2009-06-18 — — 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 (3 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-20090156545-A1 Substituted Phosphate Esters of Nucleoside Phosphonates PNP, TYMP, ENPP1 XDH 1262/4885GDA 332/4885
US-20090215726-A1 Phosphono-Pent-2-en-1-yl Nucleosides and Analogs PNP, TYMP, ENPP1 XDH 1553/4885GDA 232/4885
US-20130018018-A1 NOVEL NUCLEOSIDE PHOSPHONATES AND ANALOGS PNP, TYMP, ENTPD5 XDH 1086/4885GDA 223/4885

“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.

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