SCHEMBL3437184

SCHEMBL3437184

C#C[C@@]1(O)[C@@H](CO)O[C@@H](n2cnc3c(=O)[nH]c(N)nc32)[C@@H]1O

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 11/20 0.51
▸ ADORA3 P0DMS8 1/20 0.48
▸ HPGD P15428 2/20 0.47
▸ HINT1 P49773 1/20 0.47
▸ STING1 Q86WV6 2/20 0.47
▸ PDE3B Q13370 1/20 0.47
▸ PDE3A Q14432 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
SCHEMBL7101375 0.87 ADORA3 (0.53) NT5EADORA3HPGDHINT1STING1
SCHEMBL31675122 0.87 ADORA3 (0.47) NT5EADORA3HPGDHINT1STING1
SCHEMBL29908542 0.86 ADORA3 (0.52) NT5EADORA3HPGDHINT1STING1
SCHEMBL12758342 0.85 HINT1 (0.52) NT5EADORA3HPGDHINT1STING1
SCHEMBL1374868 0.85 HINT1 (0.52) NT5EADORA3HPGDHINT1STING1
SCHEMBL3734057 0.85 ADORA3 (0.51) NT5EADORA3HPGDHINT1STING1
SCHEMBL12151803 0.85 HINT1 (0.52) NT5EADORA3HPGDHINT1STING1
SCHEMBL3427138 0.84 ADORA3 (0.50) NT5EADORA3HPGDHINT1STING1
SCHEMBL18490626 0.84 ADORA3 (0.52) NT5EADORA3HPGDHINT1STING1
SCHEMBL28911222 0.83 HPGD (0.54) NT5EADORA3HPGDHINT1STING1

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11021497-B2 Compositions and methods for synthesis of phosphorylated molecules THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-06-01 — — US claimed
US-20200239500-A1 Compositions and Methods for Synthesis of Phosphorylated Molecules THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2020-07-30 — — US claimed
US-7807653-B2 Nucleotide mimics and their prodrugs BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2010-10-05 — — US claimed
US-20070265224-A1 Nucleotide mimics and their prodrugs BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2007-11-15 — — US claimed
US-20040059104-A1 Nucleotide mimics and their prodrugs BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2004-03-25 — — US claimed
US-11858953-B2 Compositions and methods for synthesis of phosphorylated molecules THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-01-02 — — US disclosed
US-20210332070-A1 Compositions and Methods for Synthesis of Phosphorylated Molecules UNIV CALIFORNIA (US) 2021-10-28 — — US disclosed
US-11021497-B2 Compositions and methods for synthesis of phosphorylated molecules THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-06-01 — — US disclosed
US-20200239500-A1 Compositions and Methods for Synthesis of Phosphorylated Molecules THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2020-07-30 — — US disclosed
US-7807653-B2 Nucleotide mimics and their prodrugs BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2010-10-05 — — US disclosed
US-7598230-B2 For the treatment of viral infections, microbial infections, and proliferative disorders; contain di- or triphosphate moeity mimetics, such as those containing boron anions BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2009-10-06 — — US disclosed
US-20070265224-A1 Nucleotide mimics and their prodrugs BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2007-11-15 — — US disclosed
US-7285658-B2 Nucleotide mimics and their prodrugs BIOTA, INC. (US) 2007-10-23 — — US disclosed
CN-1195768-C 3' -substituted nucleoside derivatives MATSUDA AKIRA (JP) 2005-04-06 — — CN disclosed
US-20040059104-A1 Nucleotide mimics and their prodrugs BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2004-03-25 — — US disclosed
EP-0747389-B1 3'-SUBSTITUTED NUCLEOSIDE DERIVATIVES TAIHO PHARMACEUTICAL CO LTD (JP) 2003-09-10 — — EP disclosed
US-RE38090-E1 Antitumor activity; useful for treatment and prevention of cancers Matsuda, Akira (JP) 2003-04-22 — — US disclosed
US-5763418-A NUCLEOTIDE ANTITUMOR AGENTS Matsuda, Akira (JP) 1998-06-09 — — US disclosed
CN-1140453-A 3' -substituted nucleoside derivatives MATSUDA AKIRA (JP) 1997-01-15 — — CN disclosed
EP-0747389-A1 3'-SUBSTITUTED NUCLEOSIDE DERIVATIVES TAIHO PHARMACEUTICAL CO., LTD. (JP) 1996-12-11 — — EP 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 (6 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-20070265224-A1 Nucleotide mimics and their prodrugs NUDT14, ENTPD5, MTAP NT5E 39/4885ADORA3 95/4885HPGD 1161/4885
US-11858953-B2 Compositions and methods for synthesis of phosphorylated molecules PIK3CA, CHAMP1, TYMP NT5E 154/4885ADORA3 729/4885HPGD 2801/4885
US-20200239500-A1 Compositions and Methods for Synthesis of Phosphorylated Molecules PIK3CA, CHAMP1, TYMP NT5E 154/4885ADORA3 729/4885HPGD 2801/4885
US-11021497-B2 Compositions and methods for synthesis of phosphorylated molecules PIK3CA, CHAMP1, TYMP NT5E 154/4885ADORA3 729/4885HPGD 2801/4885
US-20210332070-A1 Compositions and Methods for Synthesis of Phosphorylated Molecules PIK3CA, CHAMP1, TYMP NT5E 154/4885ADORA3 729/4885HPGD 2801/4885
US-20040059104-A1 Nucleotide mimics and their prodrugs NUDT14, ENTPD5, MTAP NT5E 39/4885ADORA3 95/4885HPGD 1161/4885

“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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