SCHEMBL5057495

SCHEMBL5057495

O=C(NC/C=C/c1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O)C(F)(F)F

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TK1 P04183 3/20 0.65
CYP1A2 P05177 1/20 0.65
CYP3A4 P08684 1/20 0.65
TSHR P16473 1/20 0.65
BLM P54132 1/20 0.65
PMP22 Q01453 1/20 0.65
NPSR1 Q6W5P4 1/20 0.65
LMNA P02545 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
ALOX12 P18054 1/20 0.59
ADRA1A P35348 1/20 0.59
TYMS P04818 1/20 0.54
TK2 O00142 1/20 0.51

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
SCHEMBL13412991 1.00 TK1 (0.65) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL14286635 1.00 TK1 (0.65) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL5057505 1.00 TK1 (0.65) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL5057499 1.00 TK1 (0.65) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL14286637 0.92 TK1 (0.54) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL24638622 0.87 TK1 (0.62) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL14252429 0.87 TK1 (0.62) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL20456356 0.87 TK1 (0.62) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL21912302 0.85 TK1 (0.60) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL13403287 0.84 TK1 (0.58) 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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3086897-A None JP disclosed
US-8680062-B2 System for delivering therapeutic agents into living cells and cells nuclei Deliversir Ltd. (IL) 2014-03-25 US disclosed
US-20080004234-A1 System for delivering therapeutic agents into living cells and cells nuclei SEGEV LABORATORIES LIMITED (IL) 2008-01-03 US disclosed
US-20060160763-A1 System for delivering therapeutic agents into living cells and cells nuclei SEGEV LABORATORIES LIMITED (IL) 2006-07-20 US disclosed
WO-2006010084-A2 A SYSTEM FOR DELIVERING THERAPEUTIC AGENTS INTO LIVING CELLS AND CELL NUCLEI SEGEV LABORATORIES LIMITED (IL) 2006-01-26 WO disclosed
EP-0135587-B2 DEFINED SEQUENCE SINGLE STRAND OLIGONUCLEOTIDES INCORPORATING REPORTER GROUPS, PROCESS FOR THE CHEMICAL SYNTHESIS THEREOF, AND NUCLEOSIDES USEFUL IN SUCH SYNTHESIS SYNGENE INC (US) 2002-12-18 EP disclosed
EP-1040116-A4 FUNCTIONALIZED PYRIMIDINE DERIVATIVES SCRIPPS RESEARCH INST (US) 2001-10-31 EP disclosed
US-6175001-B1 DERIVATIZED AT C5 TO CONTAIN FUNCTIONAL GROUP THAT MIMICS THE PROPERTY OF NATURALLY OCCURRING AMINO ACID; FOR USE IN POLYMERASE CHAIN REACTIONS THE SCRIPPS RESEARCH INSTITUTE 2001-01-16 US disclosed
EP-1040116-A1 FUNCTIONALIZED PYRIMIDINE DERIVATIVES The Scripps Research Institute (US) 2000-10-04 EP disclosed
WO-2000052192-A1 ENZYMATIC DNA MOLECULES THAT CONTAIN MODIFIED NUCLEOTIDES THE SCRIPPS RESEARCH INSTITUTE (US) 2000-09-08 WO disclosed
WO-2000023456-A1 FUNCTIONALIZED PYRIMIDINE DERIVATIVES THE SCRIPPS RESEARCH INSTITUTE (US) 2000-04-27 WO disclosed
US-5817786-A Single-stranded labelled oligonucleotides of preselected sequences MOLECULAR BIOSYSTEMS, INC. (US) 1998-10-06 US disclosed
US-5668266-A Synthesis of single-stranded labelled oligonucleotides of preselected sequence SYNGENE, INC. (US) 1997-09-16 US disclosed
US-5541313-A Single-stranded labelled oligonucleotides of preselected sequence MOLECULAR BIOSYSTEMS, INC. (US) 1996-07-30 US disclosed
JP-H0386897-A COMPOUND USEFUL FOR CHEMICAL SYNTHESIS OF DETECTABLE SINGLE CHAIN OLIGONUCLEOTIDE MOLECULAR BIOSYST INC 1991-04-11 JP disclosed
US-4948882-A Single-stranded labelled oligonucleotides, reactive monomers and methods of synthesis SYNGENE, INC. (US) 1990-08-14 US disclosed
EP-0135587-B1 DEFINED SEQUENCE SINGLE STRAND OLIGONUCLEOTIDES INCORPORATING REPORTER GROUPS, PROCESS FOR THE CHEMICAL SYNTHESIS THEREOF, AND NUCLEOSIDES USEFUL IN SUCH SYNTHESIS SYNGENE, INC. (US) 1990-05-02 EP disclosed
EP-0135587-A4 DEFINED SEQUENCE SINGLE STRAND OLIGONUCLEOTIDES INCORPORATING REPORTER GROUPS, PROCESS FOR THE CHEMICAL SYNTHESIS THEREOF, AND NUCLEOSIDES USEFUL IN SUCH SYNTHESIS. MOLECULAR BIOSYSTEMS INC (US) 1986-04-02 EP disclosed
EP-0135587-A1 DEFINED SEQUENCE SINGLE STRAND OLIGONUCLEOTIDES INCORPORATING REPORTER GROUPS, PROCESS FOR THE CHEMICAL SYNTHESIS THEREOF, AND NUCLEOSIDES USEFUL IN SUCH SYNTHESIS. MOLECULAR BIOSYSTEMS INC (US) 1985-04-03 EP disclosed
WO-1984003285-A1 DEFINED SEQUENCE SINGLE STRAND OLIGONUCLEOTIDES INCORPORATING REPORTER GROUPS, PROCESS FOR THE CHEMICAL SYNTHESIS THEREOF, AND NUCLEOSIDES USEFUL IN SUCH SYNTHESIS MOLECULAR BIOSYSTEMS INC (US) 1984-08-30 WO 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 (2 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-20060160763-A1 System for delivering therapeutic agents into living cells and cells nuclei RCC1, NUMA1, ACIN1 TK1 17/4885CYP1A2 4664/4885CYP3A4 4440/4885
US-20080004234-A1 System for delivering therapeutic agents into living cells and cells nuclei RCC1, NUMA1, ACIN1 TK1 17/4885CYP1A2 4664/4885CYP3A4 4440/4885

“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.