SCHEMBL13470531

SCHEMBL13470531

CC(=O)O[C@H]1[C@H](OC(=O)c2ccccc2)[C@@H]([C@@H](C)OC(=O)c2ccccc2)O[C@@]1(C#N)n1ccc(=O)[nH]c1=O

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 13/20 0.34
POLB P06746 2/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
KMT2A Q03164 1/20 0.33
SLC43A1 O75387 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL13470609 0.96 POLB (0.34) ABCB1POLBMEN1USP2KMT2A
SCHEMBL13470537 0.90 POLB (0.34) POLBMEN1USP2KMT2AHSD17B10
SCHEMBL13470535 0.90 POLB (0.34) POLBMEN1USP2KMT2AHSD17B10
SCHEMBL16214806 0.90 MEN1 (0.31) POLBMEN1USP2KMT2A
SCHEMBL13470532 0.84 ABCB1 (0.31) ABCB1
SCHEMBL21099786 0.84 POLB (0.35) ABCB1POLBMEN1USP2KMT2A
SCHEMBL30002429 0.83 POLB (0.45) ABCB1POLBMEN1USP2KMT2A
SCHEMBL17968541 0.83 POLB (0.45) ABCB1POLBMEN1USP2KMT2A
SCHEMBL16730057 0.83 POLB (0.45) ABCB1POLBMEN1USP2KMT2A
SCHEMBL13454860 0.82 TRPM8 (0.35) POLBMEN1USP2KMT2AHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2697241-B1 1'-SUBSTITUTED PYRIMIDINE N-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES INC (US) 2019-06-12 EP disclosed
US-8877733-B2 1′-substituted pyrimidine N-nucleoside analogs for antiviral treatment GILEAD SCIENCES, INC. (US) 2014-11-04 US disclosed
US-20120263678-A1 1'-SUBSTITUTED PYRIMIDINE N-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2012-10-18 US disclosed
WO-2012142523-A2 1'-SUBSTITUTED PYRIMIDINE N-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2012-10-18 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-20120263678-A1 1'-SUBSTITUTED PYRIMIDINE N-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT PNP, NUDT1, TYMP ABCB1 1168/4885POLB 545/4885MEN1 3685/4885

“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.