SCHEMBL2816613

SCHEMBL2816613

COc1ccc(C(OC[C@@H]2C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](n3ccc(N)nc3=O)O2)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TYMP P19971 5/20 0.41
THRB P10828 2/20 0.34
ST6GAL1 P15907 5/20 0.33
LMNA P02545 1/20 0.33
MTOR P42345 1/20 0.33
MDM2 Q00987 1/20 0.33
NCOA1 Q15788 1/20 0.33
NCOA3 Q9Y6Q9 1/20 0.33
GRM2 Q14416 1/20 0.33
NT5E P21589 1/20 0.32
SLC6A1 P30531 2/20 0.32
SLC6A11 P48066 1/20 0.32

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
SCHEMBL2816616 1.00 TYMP (0.41) TYMPTHRBST6GAL1LMNAMTOR
SCHEMBL2816907 0.88 TYMP (0.40) TYMPTHRBNT5ESLC6A1SLC6A11
SCHEMBL13134715 0.86 TYMP (0.40) TYMPTHRBNT5ESLC6A1SLC6A11
SCHEMBL1739171 0.86 TYMP (0.47) TYMPTHRBST6GAL1LMNAMTOR
SCHEMBL20527120 0.86 TYMP (0.41) TYMPTHRBST6GAL1LMNAMTOR
SCHEMBL25845635 0.83 LMNA (0.41) THRBST6GAL1LMNAMTORMDM2
SCHEMBL22577469 0.82 TYMP (0.40) TYMPTHRBSLC6A1SLC6A11
SCHEMBL17223094 0.82 TYMP (0.51) TYMPTHRBST6GAL1LMNAMTOR
SCHEMBL2814330 0.82 ST6GAL1 (0.35) TYMPTHRBST6GAL1LMNAMTOR
SCHEMBL1738534 0.81 LMNA (0.41) THRBST6GAL1LMNAMTORMDM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2623104-A1 Substituted nucleoside and nucleotide analogs Alios Biopharma, Inc. (US) 2013-08-07 EP disclosed
US-20100249068-A1 SUBSTITUTED NUCLEOSIDE AND NUCLEOTIDE ANALOGS ALIOS BIOPHARMA, INC. (US) 2010-09-30 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-20100249068-A1 SUBSTITUTED NUCLEOSIDE AND NUCLEOTIDE ANALOGS PNP, TYMP, NTPCR TYMP 2/4885THRB 3293/4885ST6GAL1 1533/4885

“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.