SCHEMBL805029

SCHEMBL805029

CC(OC(=O)c1ccccc1)[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@](C)(OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 2/20 0.39
POLB P06746 2/20 0.35
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
KMT2A Q03164 1/20 0.35
RNASE1 P07998 1/20 0.34
P2RY2 P41231 1/20 0.33
P2RY4 P51582 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
TDP1 Q9NUW8 2/20 0.32
ABCB1 P08183 2/20 0.32
SLC43A1 O75387 1/20 0.32
GAA P10253 1/20 0.32
DUT P33316 2/20 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
SCHEMBL882013 1.00 CYP3A4 (0.39) CYP3A4CYP2C9POLBHSD17B10MEN1
SCHEMBL13134791 1.00 CYP3A4 (0.39) CYP3A4CYP2C9POLBHSD17B10MEN1
SCHEMBL14644648 1.00 CYP3A4 (0.39) CYP3A4CYP2C9POLBHSD17B10MEN1
SCHEMBL12966927 0.85 POLB (0.38) CYP3A4CYP2C9POLBHSD17B10MEN1
SCHEMBL800360 0.84 CYP3A4 (0.41) CYP3A4CYP2C9POLBHSD17B10MEN1
SCHEMBL14929281 0.83 P2RY2 (0.40) CYP3A4CYP2C9POLBHSD17B10MEN1
SCHEMBL23348448 0.82 POLB (0.47) CYP3A4CYP2C9POLBHSD17B10MEN1
SCHEMBL14853784 0.82 POLB (0.47) CYP3A4CYP2C9POLBHSD17B10MEN1
SCHEMBL13471844 0.82 POLB (0.47) CYP3A4CYP2C9POLBHSD17B10MEN1
SCHEMBL1828639 0.82 POLB (0.47) CYP3A4CYP2C9POLBHSD17B10MEN1

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
WO-2012040126-A1 SUBSTITUTED NUCLEOTIDE ANALOGS ALIOS BIOPHARMA, INC. (US) 2012-03-29 WO disclosed
US-20120070411-A1 SUBSTITUTED NUCLEOTIDE ANALOGS ALIOS BIOPHARMA, INC. (US) 2012-03-22 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 (2 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-20120070411-A1 SUBSTITUTED NUCLEOTIDE ANALOGS PNP, NTPCR, NUDT1 CYP3A4 3278/4885CYP2C9 3385/4885POLB 119/4885
US-20100249068-A1 SUBSTITUTED NUCLEOSIDE AND NUCLEOTIDE ANALOGS PNP, TYMP, NTPCR CYP3A4 3324/4885CYP2C9 3026/4885POLB 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.