SCHEMBL15045907

SCHEMBL15045907

COC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@](C)(O)[C@@H]1O

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
P2RY2 P41231 12/20 0.68
P2RY4 P51582 7/20 0.68
POLA1 P09884 1/20 0.48
SLC28A1 O00337 1/20 0.45
SLC28A2 O43868 1/20 0.45
SLC29A1 Q99808 1/20 0.45
SLC28A3 Q9HAS3 1/20 0.45
P2RY14 Q15391 2/20 0.44
P2RY6 Q15077 9/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43

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
SCHEMBL20249075 0.87 P2RY2 (0.70) P2RY2P2RY4POLA1SLC28A1SLC28A2
SCHEMBL15045975 0.87 CYP3A4 (0.54) P2RY2P2RY4POLA1SLC28A1SLC28A2
SCHEMBL19312343 0.87 CYP3A4 (0.54) P2RY2P2RY4POLA1SLC28A1SLC28A2
SCHEMBL12621455 0.86 P2RY2 (0.62) P2RY2P2RY4POLA1SLC28A1SLC28A2
SCHEMBL474592 0.86 P2RY2 (0.62) P2RY2P2RY4POLA1SLC28A1SLC28A2
SCHEMBL23880678 0.86 P2RY2 (0.62) P2RY2P2RY4POLA1SLC28A1SLC28A2
SCHEMBL12170377 0.86 P2RY2 (0.62) P2RY2P2RY4POLA1SLC28A1SLC28A2
SCHEMBL17972434 0.86 P2RY2 (0.62) P2RY2P2RY4POLA1SLC28A1SLC28A2
SCHEMBL19537371 0.86 P2RY2 (0.62) P2RY2P2RY4POLA1SLC28A1SLC28A2
SCHEMBL14853791 0.86 P2RY2 (0.62) P2RY2P2RY4POLA1SLC28A1SLC28A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2928876-B1 NUCLEOSIDE KINASE BYPASS COMPOSITIONS AND METHODS MERCK SHARP & DOHME (US) 2018-01-17 EP disclosed
US-9624249-B2 Nucleoside kinase bypass compositions and methods MERCK SHARP & DOHME CORP. (US) 2017-04-18 US disclosed
US-9624249-B2 Nucleoside kinase bypass compositions and methods MERCK SHARP & DOHME CORP. (US) 2017-04-18 US disclosed
US-20160129122-A1 FATTY ACID ANTIVIRAL CONJUGATES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. 2016-05-12 US disclosed
US-20150315221-A1 NUCLEOSIDE KINASE BYPASS COMPOSITIONS AND METHODS MERCK SHARP & DOHME CORP. (US) 2015-11-05 US disclosed
US-20150315221-A1 NUCLEOSIDE KINASE BYPASS COMPOSITIONS AND METHODS MERCK SHARP & DOHME CORP. (US) 2015-11-05 US disclosed
US-20140288025-A1 FATTY ACID ANTIVIRAL CONJUGATES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. (US) 2014-09-25 US disclosed
WO-2014088923-A1 NUCLEOSIDE KINASE BYPASS COMPOSITIONS AND METHODS MERCK SHARP & DOHME CORP. (US) 2014-06-12 WO disclosed
US-20130244966-A1 FATTY ACID ANTIVIRAL CONJUGATES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. (US) 2013-09-19 US disclosed
WO-2013090420-A2 FATTY ACID ANTIVIRAL CONJUGATES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. (US) 2013-06-20 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 (4 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-20130244966-A1 FATTY ACID ANTIVIRAL CONJUGATES AND THEIR USES FABP1, FABP2, HAVCR2 P2RY2 3430/4885P2RY4 3562/4885POLA1 2091/4885
US-20140288025-A1 FATTY ACID ANTIVIRAL CONJUGATES AND THEIR USES FABP1, FABP2, HAVCR2 P2RY2 3430/4885P2RY4 3562/4885POLA1 2091/4885
US-20150315221-A1 NUCLEOSIDE KINASE BYPASS COMPOSITIONS AND METHODS DCK, DTYMK, TK1 P2RY2 1681/4885P2RY4 1812/4885POLA1 1232/4885
US-20160129122-A1 FATTY ACID ANTIVIRAL CONJUGATES AND THEIR USES FABP1, FABP2, HAVCR2 P2RY2 3430/4885P2RY4 3562/4885POLA1 2091/4885

“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.