SCHEMBL6908967

SCHEMBL6908967

C=Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n(C(=O)c2ccccc2)c1=O

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TK2 O00142 2/20 0.44
MAPT P10636 1/20 0.41
CDA P32320 1/20 0.41
CYP1A2 P05177 1/20 0.40
SLC28A1 O00337 1/20 0.40
SLC28A2 O43868 1/20 0.40
SLC29A1 Q99808 1/20 0.40
SLC28A3 Q9HAS3 1/20 0.40
LMNA P02545 1/20 0.39
THRB P10828 1/20 0.39
MTOR P42345 1/20 0.39
MDM2 Q00987 1/20 0.39
NCOA1 Q15788 1/20 0.39
NCOA3 Q9Y6Q9 1/20 0.39
SLC5A2 P31639 1/20 0.38
PYGM P11217 1/20 0.38

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 0.83 MAPT (0.42) MAPTCDASLC28A1SLC28A2SLC29A1
SCHEMBL6908153 0.82 TK1 (0.46) TK2CYP1A2LMNA
SCHEMBL6909059 0.82 TMEM97 (0.47) MAPTCDASLC28A1SLC28A2SLC29A1
SCHEMBL9711039 0.81 SLC5A2 (0.44) MAPTCDASLC5A2
SCHEMBL6909310 0.80 ADORA1 (0.41) MAPTCDASLC28A1SLC28A2SLC29A1
SCHEMBL2913461 0.75 TYMP (0.39) TK2SLC5A2PYGM
SCHEMBL31621213 0.75 P2RY6 (0.47) TK2MAPTCDASLC29A1LMNA
SCHEMBL16342011 0.73 TYMP (0.40) TK2PYGM
SCHEMBL9135382 0.73 LGALS9 (0.38) TK2SLC5A2
SCHEMBL30937396 0.72 P2RY6 (0.37) MAPTCDACYP1A2SLC28A1SLC28A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1992015693-A1 CHIMERIC TAR ENZYME CONSTRUCTION FOR HIV THERAPY THE WELLCOME FOUNDATION LIMITED (GB) 1992-09-17 WO claimed
US-6699690-B2 LINKED AND CONTROLLING THE EXPRESSION OF A HETEROLOGOUS ENZYME, FOR EXAMPLE VARICELLA ZOSTER VIRUS THYMIDINE KINASE OR NON-MAMMALIAM CYTOSINE DEAMINASE SMITHKLINE BEECHAM CORPORATION 2004-03-02 US disclosed
US-20020055482-A1 Linked and controlling the expression of a heterologous enzyme, for example Varicella Zoster Virus Thymidine Kinase or non-mammaliam Cytosine Deaminase SMITHKLINE BEECHAM CORPORATION 2002-05-09 US disclosed
US-6337209-B1 A CHIMERIC MOLECULE; THERAPY FOR COLORECTAL CANCER GLAXO WELLCOME INC. 2002-01-08 US disclosed
US-6300490-B1 EXPRESSION VECTOR CODING CYTOSINE DEAMINASE; FOR USE IN THE TREATMENT OF CANCERS GLAXO WELLCOME INC. 2001-10-09 US disclosed
EP-0486477-A2 1-( -D-Arabinofuranosyl)-5-propynyluracil as a VZV-antiviral compound THE WELLCOME FOUNDATION LIMITED (GB) 1992-05-20 EP disclosed
EP-0272065-A2 Antiviral compounds THE WELLCOME FOUNDATION LIMITED (GB) 1988-06-22 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 (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-20020055482-A1 Linked and controlling the expression of a heterologous enzyme, for example Varicella Zoster Virus Thymidine Kinase or non-mammaliam Cytosine Deaminase TK1, CDA, DCTD TK2 6/4885MAPT 4480/4885CDA 2/4885

“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.