SCHEMBL5349908

SCHEMBL5349908

Cc1cn(CC(=O)N(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 11)

geneUniProtsupporting neighboursconfidence
TK1 P04183 7/20 0.39
KMT2A Q03164 2/20 0.36
CYP1A2 P05177 1/20 0.36
GRIA1 P42261 1/20 0.36
GRIA2 P42262 1/20 0.36
GRIA4 P48058 1/20 0.36
BLM P54132 1/20 0.36
GRIK5 Q16478 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HPGD P15428 1/20 0.36
TK2 O00142 1/20 0.35

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
SCHEMBL5366400 0.91 KMT2A (0.40) TK1KMT2ACYP1A2GRIA1GRIA2
SCHEMBL2684991 0.90 TYMP (0.38) TK1KMT2ACYP1A2GRIA1GRIA2
SCHEMBL5199542 0.84 TK1 (0.39) TK1TK2
SCHEMBL8150170 0.84 TK1 (0.41) TK1KMT2AHPGDTK2
SCHEMBL6924149 0.83 TK1 (0.39) TK1KMT2ACYP1A2GRIA1GRIA2
SCHEMBL6931042 0.83 TK1 (0.39) TK1KMT2ACYP1A2GRIA1GRIA2
SCHEMBL2153216 0.82 LMNA (0.44) TK1KMT2ATK2
SCHEMBL8135550 0.82 TK1 (0.37) TK1KMT2ACYP1A2GRIA1GRIA2
SCHEMBL5370203 0.81 TYMP (0.35) TK1HPGDTK2
SCHEMBL6468180 0.81 TK1 (0.37) TK1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7223833-B1 Peptide nucleic acid conjugates ISIS PHARMACEUTICALS, INC. (US) 2007-05-29 US disclosed
US-20050260131-A1 Pharmaceuticals for enhanced delivery to disease targets GENERAL ELECTRIC COMPANY 2005-11-24 US disclosed
US-6548651-B1 Conjugating cationic peptides to peptide nucleic acids; microbiocides PANTHECO A/S (DK) 2003-04-15 US disclosed
EP-0804456-B1 PEPTIDE NUCLEIC ACID CONJUGATES ISIS PHARMACEUTICALS INC (US) 2002-08-21 EP disclosed
WO-2000002864-A1 PRECUSORS FOR PNA-MONOMERS MARTENS JUERGEN (DE) 2000-01-20 WO disclosed
EP-0804456-A4 PEPTIDE NUCLEIC ACID CONJUGATES ISIS PHARMACEUTICALS INC (US) 1999-05-19 EP disclosed
EP-0804456-A1 PEPTIDE NUCLEIC ACID CONJUGATES ISIS PHARMACEUTICALS, INC. (US) 1997-11-05 EP disclosed
WO-1996011205-A9 PEPTIDE NUCLEIC ACID CONJUGATES 1996-05-30 WO disclosed
WO-1996011205-A1 PEPTIDE NUCLEIC ACID CONJUGATES ISIS PHARMACEUTICALS, INC. (US) 1996-04-18 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-20050260131-A1 Pharmaceuticals for enhanced delivery to disease targets DNPEP, IAPP, PCSK9 TK1 820/4885KMT2A 4356/4885CYP1A2 4779/4885

“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.