SCHEMBL3883906

SCHEMBL3883906

O=C(OC[C@@H]1OC[C@@H](C(=O)O)O1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
PPM1B O75688 1/20 0.43
CHRNB2 P17787 1/20 0.43
CHRNA5 P30532 1/20 0.43
CHRNA7 P36544 1/20 0.43
CHRNA4 P43681 1/20 0.43
TDP1 Q9NUW8 2/20 0.42
NPC1 O15118 4/20 0.42
RAB9A P51151 3/20 0.42
ALDH1A1 P00352 2/20 0.41
HIF1A Q16665 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
KMT2A Q03164 1/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.39

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
SCHEMBL5423549 1.00 MAPK1 (0.44) MAPK1POLBGAANPSR1PPM1B
SCHEMBL5423546 1.00 MAPK1 (0.44) MAPK1POLBGAANPSR1PPM1B
SCHEMBL172396 1.00 MAPK1 (0.44) MAPK1POLBGAANPSR1PPM1B
SCHEMBL3882191 1.00 MAPK1 (0.44) MAPK1POLBGAANPSR1PPM1B
SCHEMBL14462223 1.00 MAPK1 (0.44) MAPK1POLBGAANPSR1PPM1B
SCHEMBL131185 1.00 MAPK1 (0.44) MAPK1POLBGAANPSR1PPM1B
SCHEMBL14539942 0.90 PPM1B (0.43) MAPK1POLBGAANPSR1PPM1B
SCHEMBL5426982 0.89 CHRNB2 (0.44) MAPK1POLBGAANPSR1PPM1B
SCHEMBL5426986 0.89 CHRNB2 (0.44) MAPK1POLBGAANPSR1PPM1B
SCHEMBL5426977 0.89 CHRNB2 (0.44) MAPK1POLBGAANPSR1PPM1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070037977-A1 Substituted-1, 3-oxathiolanes and substituted-1, 3-dioxolanes with antiviral properties BELLEAU BERNARD 2007-02-15 US claimed
US-20070037975-A1 Substituted-1,3-oxathiolanes and substituted-1, 3-dioxolanes with antiviral properties BELLEAU BERNARD 2007-02-15 US claimed
US-20040254201-A1 Substituted-1,3-oxathiolanes and substituted-1,3-dioxolanes with antiviral properties BELLEAU BERNARD (CA) 2004-12-16 US claimed
US-20030087918-A1 Synthesis of substituted 1,3-dioxolanes and substituted 1,3-oxathiolanes with antiviral properties BIOCHEM PHARMA INC. (CA) 2003-05-08 US claimed
US-20190100541-A1 DIOXOLANE ANALOGUES OF URIDINE FOR THE TREATMENT OF CANCER MEDIVIR AB (SE) 2019-04-04 US disclosed
US-7955835-B2 Stereoselective process for the production of dioxolane nucleoside analogues SHIRE CANADA INC. (CA) 2011-06-07 US disclosed
EP-1573019-B1 STEREOSELECTIVE PROCESS FOR THE PRODUCTION OF DIOXOLANE NUCLEOSIDE ANALOGUES SHIRE BIOCHEM INC (CA) 2009-01-14 EP disclosed
EP-1573019-B1 STEREOSELECTIVE PROCESS FOR THE PRODUCTION OF DIOXOLANE NUCLEOSIDE ANALOGUES SHIRE BIOCHEM INC (CA) 2009-01-14 EP 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 (5 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-20070037977-A1 Substituted-1, 3-oxathiolanes and substituted-1, 3-dioxolanes with antiviral properties IFNAR1, MAVS, IFNG MAPK1 1809/4885POLB 87/4885GAA 784/4885
US-20070037975-A1 Substituted-1,3-oxathiolanes and substituted-1, 3-dioxolanes with antiviral properties IFNAR1, MAVS, IFNG MAPK1 1858/4885POLB 89/4885GAA 796/4885
US-20190100541-A1 DIOXOLANE ANALOGUES OF URIDINE FOR THE TREATMENT OF CANCER ADORA3, DUT, NT5C MAPK1 3170/4885POLB 870/4885GAA 4726/4885
US-20030087918-A1 Synthesis of substituted 1,3-dioxolanes and substituted 1,3-oxathiolanes with antiviral properties IFNAR1, ZC3HAV1, NUDT1 MAPK1 1791/4885POLB 60/4885GAA 827/4885
US-20040254201-A1 Substituted-1,3-oxathiolanes and substituted-1,3-dioxolanes with antiviral properties IFNAR1, ZC3HAV1, MAVS MAPK1 2005/4885POLB 56/4885GAA 766/4885

“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.