SCHEMBL5199542

SCHEMBL5199542

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

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TK1 P04183 6/20 0.39
TYMP P19971 1/20 0.37
TK2 O00142 8/20 0.37

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
SCHEMBL2684991 0.84 TYMP (0.38) TK1TYMPTK2
SCHEMBL5349908 0.84 TK1 (0.39) TK1TK2
SCHEMBL5199538 0.79 SMN1; SMN2 (0.38) TK1TYMPTK2
SCHEMBL13417629 0.78 TYMP (0.44) TK1TYMPTK2
SCHEMBL2153216 0.78 LMNA (0.44) TK1TYMPTK2
SCHEMBL5366400 0.77 KMT2A (0.40) TK1TYMP
SCHEMBL8150170 0.76 TK1 (0.41) TK1TK2
SCHEMBL6924149 0.75 TK1 (0.39) TK1TYMPTK2
SCHEMBL6931042 0.75 TK1 (0.39) TK1TYMPTK2
SCHEMBL8135550 0.74 TK1 (0.37) TK1TYMPTK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0773950-B1 LINKED PEPTIDE NUCLEIC ACIDS ISIS PHARMACEUTICALS INC (US) 2007-08-22 EP disclosed
US-20030105286-A1 Linked peptide nucleic acids EGHOLM MICHAEL (US) 2003-06-05 US disclosed
US-6441130-B1 FORM TRIPLE STRANDED STRUCTURES WITH NUCLEIC ACIDS ISIS PHARMACEUTICALS, INC. 2002-08-27 US disclosed
EP-0773950-A4 LINKED PEPTIDE NUCLEIC ACIDS ISIS PHARMACEUTICALS INC (US) 2000-05-17 EP disclosed
EP-0773950-A1 LINKED PEPTIDE NUCLEIC ACIDS ISIS PHARMACEUTICALS, INC. (US) 1997-05-21 EP disclosed
WO-1996002558-A1 LINKED PEPTIDE NUCLEIC ACIDS ISIS PHARMACEUTICALS, INC. (US) 1996-02-01 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-20030105286-A1 Linked peptide nucleic acids RNGTT, NT5C3B, DPYD TK1 56/4885TYMP 14/4885TK2 152/4885

“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.