SCHEMBL2913461

SCHEMBL2913461

O=C(c1ccccc1)c1cn([C@@H]2O[C@H](CO)C(O)C2Br)c(=O)n(C(=O)c2ccccc2)c1=O

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TYMP P19971 1/20 0.39
TK2 O00142 3/20 0.34
SLC5A2 P31639 2/20 0.34
KMT2A Q03164 1/20 0.33
PYGM P11217 1/20 0.33
LGALS9 O00182 1/20 0.33
LGALS1 P09382 1/20 0.33
LGALS3 P17931 1/20 0.33
LGALS7; LGALS7B P47929 1/20 0.33

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
SCHEMBL27784868 0.91 MAPT (0.42) TYMPSLC5A2PYGM
SCHEMBL9135382 0.85 LGALS9 (0.38) TK2SLC5A2LGALS9LGALS1LGALS3
SCHEMBL2922542 0.79 TK1 (0.42) TK2
SCHEMBL779334 0.79 TK1 (0.42) TK2
SCHEMBL6909059 0.77 TMEM97 (0.47) TYMPSLC5A2
SCHEMBL9092454 0.77 TYMP (0.41) TYMPPYGM
SCHEMBL6908967 0.75 TK2 (0.44) TK2SLC5A2PYGM
SCHEMBL16342011 0.74 TYMP (0.40) TYMPTK2PYGMLGALS9LGALS1
SCHEMBL9556857 0.74 TYMP (0.39) TYMPTK2SLC5A2PYGM
SCHEMBL9711039 0.74 SLC5A2 (0.44) SLC5A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1204415-B1 5-(E)-BROMOVINYL URACIL ANALOGUES AND RELATED PYRIMIDINE NUCLEOSIDES AS ANTI-VIRAL AGENTS AND METHODS OF USE UNIV YALE (US) 2010-09-08 EP disclosed
US-20040053891-A1 5-(E)-bromovinyl uracil analogues and related pyrimidine nucleosides as anti-viral agents and methods of use NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-03-18 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 (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-20040053891-A1 5-(E)-bromovinyl uracil analogues and related pyrimidine nucleosides as anti-viral agents and methods of use TYMP, DPYD, CXCL8 TYMP 1/4885TK2 85/4885SLC5A2 629/4885

“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.