SCHEMBL2816907

SCHEMBL2816907

COc1ccc(C(Nc2ccn([C@@H]3O[C@H](COC(c4ccccc4)(c4ccc(OC)cc4)c4ccc(OC)cc4)C[C@H]3O[Si](C)(C)C(C)(C)C)c(=O)n2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TYMP P19971 8/20 0.40
THRB P10828 1/20 0.33
POLB P06746 1/20 0.32
P2RY6 Q15077 6/20 0.32
P2RY14 Q15391 2/20 0.32
P2RY2 P41231 4/20 0.31
P2RY4 P51582 3/20 0.31
ABL1 P00519 1/20 0.31
RIN1 Q13671 1/20 0.31
NT5E P21589 1/20 0.31
SLC6A1 P30531 2/20 0.31
SLC6A11 P48066 1/20 0.31

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
SCHEMBL2838277 0.93 THRB (0.34) TYMPTHRBPOLBP2RY6P2RY14
SCHEMBL13134715 0.90 TYMP (0.40) TYMPTHRBPOLBP2RY6P2RY14
SCHEMBL2814951 0.90 ABL1 (0.39) TYMPTHRBPOLBP2RY6P2RY14
SCHEMBL416716 0.90 TYMP (0.39) TYMPPOLBP2RY6P2RY14P2RY2
SCHEMBL2816613 0.88 TYMP (0.41) TYMPTHRBNT5ESLC6A1SLC6A11
SCHEMBL2816616 0.88 TYMP (0.41) TYMPTHRBNT5ESLC6A1SLC6A11
SCHEMBL12449768 0.88 TYMP (0.43) TYMPPOLBP2RY6P2RY14P2RY2
SCHEMBL13134717 0.86 THRB (0.33) TYMPTHRBPOLBP2RY6P2RY14
SCHEMBL2812686 0.83 THRB (0.35) TYMPTHRBPOLBP2RY6P2RY14
SCHEMBL13134725 0.83 THRB (0.35) TYMPTHRBPOLBP2RY6P2RY14

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 3 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
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 3293/4885POLB 135/4885

“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.