SCHEMBL6513732

SCHEMBL6513732

Cc1cn(CC(=O)N(CCNC(=O)OC(C)(C)C)C(C)C(=O)O)c(=O)[nH]c1=O

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TK1 P04183 9/20 0.38
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
TYMP P19971 1/20 0.35
HPGD P15428 1/20 0.34
TK2 O00142 3/20 0.34

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
SCHEMBL6931032 1.00 TK1 (0.38) TK1MEN1GAAKMT2ATYMP
SCHEMBL6924142 1.00 TK1 (0.38) TK1MEN1GAAKMT2ATYMP
SCHEMBL6924145 0.91 TK1 (0.37) TK1KMT2ATYMPHPGD
SCHEMBL6928560 0.91 TK1 (0.37) TK1KMT2ATYMPHPGD
SCHEMBL6513527 0.87 L3MBTL1 (0.42) TK1MEN1KMT2AHPGD
SCHEMBL5358378 0.84 TK1 (0.36) TK1KMT2ATYMPTK2
SCHEMBL5158820 0.82 TK1 (0.37) TK1HPGDTK2
SCHEMBL2153170 0.80 TK1 (0.37) TK1TYMPHPGDTK2
SCHEMBL2685934 0.80 TK1 (0.37) TK1TYMPHPGDTK2
SCHEMBL9328006 0.80 TK1 (0.37) TK1TYMPHPGDTK2

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
US-20050048552-A1 Higher order structure and binding of peptide nucleic acids ISIS PHARMACEUTICALS, INC. 2005-03-03 US disclosed
US-6770738-B1 USED TO MODULATE PROTEIN ACTIVITY THROUGH, FOR EXAMPLE, TRANSCRIPTION ARREST, TRANSCRIPTION INITIATION, AND SITE SPECIFIC CLEAVAGE OF NUCLEIC ACIDS ISIS PHARMACEUTICALS, INC. 2004-08-03 US disclosed
EP-0776331-B1 HIGHER ORDER STRUCTURE AND BINDING OF PEPTIDE NUCLEIC ACIDS ISIS PHARMACEUTICALS INC (US) 2002-11-27 EP disclosed
US-5986053-A NUCLEIC ACID COMPLEXES WITH MULTISTRANDS AND SEQUENCES ISIS PHARMACEUTICALS, INC. (US) 1999-11-16 US disclosed
US-5641625-A PEPTIDE NUCLEIC ACIDS FORMING DUPLEX, TRIPLEX AND OTHER STRUCTURES WITH NUCLEIC ACIDS; MODULATION OF PROTEIN ACTIVITY BY TRANSCRIPTION ARREST AND INITIATION; SPECIFIC SITE CLEAVAGE ISIS PHARMACEUTICALS, INC. (US) 1997-06-24 US disclosed
EP-0776331-A1 HIGHER ORDER STRUCTURE AND BINDING OF PEPTIDE NUCLEIC ACIDS ISIS PHARMACEUTICALS, INC. (US) 1997-06-04 EP disclosed
WO-1995001370-A1 HIGHER ORDER STRUCTURE AND BINDING OF PEPTIDE NUCLEIC ACIDS ISIS PHARMACEUTICALS, INC. (US) 1995-01-12 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 (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-20050048552-A1 Higher order structure and binding of peptide nucleic acids SSU72, DDX1, DDX18 TK1 340/4885MEN1 1868/4885GAA 2429/4885

“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.