SCHEMBL4859526

SCHEMBL4859526

Cc1cn(C2CCC(CC(=O)O)CC2NC(=O)OC(C)(C)C)c(=O)[nH]c1=O

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TK1 P04183 3/20 0.38
TYMP P19971 1/20 0.38
TK2 O00142 1/20 0.36
RNASE1 P07998 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
SCHEMBL4859519 1.00 TK1 (0.38) TK1TYMPTK2RNASE1
SCHEMBL6710613 1.00 TK1 (0.38) TK1TYMPTK2RNASE1
SCHEMBL4859530 1.00 TK1 (0.38) TK1TYMPTK2RNASE1
SCHEMBL6710611 1.00 TK1 (0.38) TK1TYMPTK2RNASE1
SCHEMBL6711454 0.81 KMT2A (0.33)
SCHEMBL6711457 0.81 KMT2A (0.33)
SCHEMBL4858232 0.78 TK1 (0.45) TK1TYMP
SCHEMBL6717375 0.76 HPRT1 (0.42)
SCHEMBL6717369 0.76 HPRT1 (0.42)
SCHEMBL4849546 0.76 KMT2A (0.38)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1049678-B1 CYCLOHEXYL AND HETEROCYCLYL NUCLEOSIDE DERIVATIVES, METHOD FOR PRODUCING THESE DERIVATIVES, AND THE USE OF THE DERIVATIVES AND THEIR OLIGOMERS OR CONJUGATES IN PAIRING AND/OR TESTING SYSTEMS SANOFI SA (FR) 2012-10-24 EP claimed
EP-1049678-B1 CYCLOHEXYL AND HETEROCYCLYL NUCLEOSIDE DERIVATIVES, METHOD FOR PRODUCING THESE DERIVATIVES, AND THE USE OF THE DERIVATIVES AND THEIR OLIGOMERS OR CONJUGATES IN PAIRING AND/OR TESTING SYSTEMS SANOFI SA (FR) 2012-10-24 EP disclosed
US-7439345-B2 Supramolecular pairing system, its preparation and use NANOGEN RECOGNOMICS GMBH (DE) 2008-10-21 US disclosed
US-20040142451-A1 Supramolecular pairing system, its preparation and use NANOGEN RECOGNOMICS GMBH (DE) 2004-07-22 US disclosed
US-6689884-B1 Supramolecular pairing system, its preparation and use NANOGEN RECOGNOMICS GMBH (DE) 2004-02-10 US 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-20040142451-A1 Supramolecular pairing system, its preparation and use TIMCC, MTCL3, UACA TK1 2926/4885TYMP 1912/4885TK2 3181/4885

“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.