SCHEMBL6901491

SCHEMBL6901491

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

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TK1 P04183 3/20 0.43
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42
BLM P54132 1/20 0.42
PMP22 Q01453 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ALOX12 P18054 1/20 0.41
ADRA1A P35348 1/20 0.41
TK2 O00142 1/20 0.41
RNASE1 P07998 1/20 0.40

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
SCHEMBL9634307 0.90 TK1 (0.42) TK1LMNASMN1; SMN2CYP1A2CYP3A4
SCHEMBL6906785 0.88 ADK (0.41) TK1LMNASMN1; SMN2CYP1A2CYP3A4
SCHEMBL4728022 0.86 TK1 (0.53) TK1LMNASMN1; SMN2CYP1A2CYP3A4
SCHEMBL9470943 0.86 LMNA (0.53) TK1LMNASMN1; SMN2CYP1A2CYP3A4
SCHEMBL21563855 0.86 RNASE1 (0.48) TK1LMNASMN1; SMN2CYP1A2CYP3A4
SCHEMBL9443821 0.86 RNASE1 (0.48) TK1LMNASMN1; SMN2CYP1A2CYP3A4
SCHEMBL9470932 0.86 LMNA (0.53) TK1LMNASMN1; SMN2CYP1A2CYP3A4
SCHEMBL537189 0.86 RNASE1 (0.48) TK1LMNASMN1; SMN2CYP1A2CYP3A4
SCHEMBL2922542 0.85 TK1 (0.42) TK1LMNASMN1; SMN2CYP1A2CYP3A4
SCHEMBL779334 0.85 TK1 (0.42) TK1LMNASMN1; SMN2CYP1A2CYP3A4

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 12 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-5079235-A 5-Substituted Pyrimidine Nucleosides BURROUGHS WELLCOME CO. (US) 1992-01-07 US 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
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-0417560-A1 Antiviral compounds THE WELLCOME FOUNDATION LIMITED (GB) 1991-03-20 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 TK1 1/4885LMNA 4287/4885SMN1; SMN2 2729/4885

“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.