SCHEMBL6908153

SCHEMBL6908153

C=Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n(C(=O)c2ccccc2)c1=O

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TK1 P04183 3/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
TSHR P16473 1/20 0.46
BLM P54132 1/20 0.46
PMP22 Q01453 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALOX12 P18054 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRB1 P08588 1/20 0.39
DNMT1 P26358 1/20 0.39
TK2 O00142 1/20 0.38
RNASE1 P07998 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
SCHEMBL11205602 0.89 TK1 (0.57) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL11205610 0.89 TK1 (0.57) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL9470943 0.85 LMNA (0.53) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL9443821 0.85 RNASE1 (0.48) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL21563855 0.85 RNASE1 (0.48) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL9470932 0.85 LMNA (0.53) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL537189 0.85 RNASE1 (0.48) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL4728022 0.85 TK1 (0.53) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL2922542 0.84 TK1 (0.42) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL779334 0.84 TK1 (0.42) TK1CYP1A2CYP3A4TSHRBLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0573479-A1 CHIMERIC TAR ENZYME CONSTRUCTION FOR HIV THERAPY THE WELLCOME FOUNDATION LIMITED (GB) 1993-12-15 EP claimed
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-0573479-A1 CHIMERIC TAR ENZYME CONSTRUCTION FOR HIV THERAPY THE WELLCOME FOUNDATION LIMITED (GB) 1993-12-15 EP disclosed
WO-1992015693-A1 CHIMERIC TAR ENZYME CONSTRUCTION FOR HIV THERAPY THE WELLCOME FOUNDATION LIMITED (GB) 1992-09-17 WO disclosed
EP-0486477-A2 1-( -D-Arabinofuranosyl)-5-propynyluracil as a VZV-antiviral compound THE WELLCOME FOUNDATION LIMITED (GB) 1992-05-20 EP disclosed
US-5079235-A 5-Substituted Pyrimidine Nucleosides BURROUGHS WELLCOME CO. (US) 1992-01-07 US 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 TK1 1/4885CYP1A2 2352/4885CYP3A4 1503/4885

“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.