SCHEMBL5430795

SCHEMBL5430795

CC(=O)Nc1ccn([C@@H]2CS[C@@H](CO)O2)c(=O)n1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALB P02768 3/20 0.65
MAPT P10636 3/20 0.65
LMNA P02545 3/20 0.65
CACNA1F O60840 2/20 0.65
CACNA1D Q01668 2/20 0.65
CACNA1S Q13698 2/20 0.65
CACNA1C Q13936 2/20 0.65
PDE3A Q14432 2/20 0.65
ABL1 P00519 1/20 0.48
RIN1 Q13671 1/20 0.48
POLB P06746 1/20 0.44
POLG P54098 2/20 0.43
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ROCK2 O75116 1/20 0.35
THRB P10828 1/20 0.34
MTOR P42345 1/20 0.34
MDM2 Q00987 1/20 0.34
NCOA1 Q15788 1/20 0.34
NCOA3 Q9Y6Q9 1/20 0.34

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
SCHEMBL14581404 1.00 ALB (0.65) ALBMAPTLMNACACNA1FCACNA1D
SCHEMBL31289523 1.00 ALB (0.65) ALBMAPTLMNACACNA1FCACNA1D
SCHEMBL5437126 1.00 ALB (0.65) ALBMAPTLMNACACNA1FCACNA1D
SCHEMBL15253100 0.90 ALB (0.66) ALBMAPTLMNACACNA1FCACNA1D
SCHEMBL14420735 0.89 ALB (0.62) ALBMAPTLMNACACNA1FCACNA1D
SCHEMBL29399701 0.89 ALB (0.53) ALBMAPTLMNACACNA1FCACNA1D
SCHEMBL14416476 0.88 ALB (0.64) ALBMAPTLMNACACNA1FCACNA1D
SCHEMBL16127112 0.87 ALB (0.69) ALBMAPTLMNACACNA1FCACNA1D
SCHEMBL15014703 0.87 ALB (0.69) ALBMAPTLMNACACNA1FCACNA1D
SCHEMBL15045866 0.87 ALB (0.69) ALBMAPTLMNACACNA1FCACNA1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070037975-A1 Substituted-1,3-oxathiolanes and substituted-1, 3-dioxolanes with antiviral properties BELLEAU BERNARD 2007-02-15 US claimed
EP-0515144-B1 1,3-Oxathiolanes useful in the treatment of hepatitis SHIRE BIOCHEM INC (CA) 2006-06-14 EP 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
EP-0711771-A2 Substituted-1,3-oxathiolanes with antiviral properties BIOCHEM PHARMA INC. (CA) 1996-05-15 EP claimed
EP-0515144-A1 1,3-Oxathiolanes useful in the treatment of hepatitis BIOCHEM PHARMA INC. (CA) 1992-11-25 EP claimed
EP-0382526-A2 Substituted -1,3-oxathiolanes with antiviral properties BIOCHEM PHARMA INC (CA) 1990-08-16 EP claimed
US-20070037977-A1 Substituted-1, 3-oxathiolanes and substituted-1, 3-dioxolanes with antiviral properties BELLEAU BERNARD 2007-02-15 US disclosed
US-20070037975-A1 Substituted-1,3-oxathiolanes and substituted-1, 3-dioxolanes with antiviral properties BELLEAU BERNARD 2007-02-15 US disclosed
US-7122693-B2 Acetaldehyde acetal compounds, their synthesis, and uses thereof SHIRE BIOCHEM INC. (CA) 2006-10-17 US disclosed
US-7119202-B1 Substituted-1,3-oxathiolanes and substituted-1,3-dioxolanes with antiviral properties GLAXO WELLCOME INC. (US) 2006-10-10 US disclosed
EP-0515144-B1 1,3-Oxathiolanes useful in the treatment of hepatitis SHIRE BIOCHEM INC (CA) 2006-06-14 EP disclosed
US-6903224-B2 Substituted 1,3-oxathiolanes BIOCHEM PHARMA INC. (CA) 2005-06-07 US disclosed
US-20040254201-A1 Substituted-1,3-oxathiolanes and substituted-1,3-dioxolanes with antiviral properties BELLEAU BERNARD (CA) 2004-12-16 US disclosed
EP-0711771-B1 Substituted-1,3-oxathiolanes with antiviral properties SHIRE BIOCHEM INC (CA) 2003-11-12 EP disclosed
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 disclosed
US-6350753-B1 2-ACETOXYMETHYL-4-(THYMIN-1'-YL)-1,3,-DIOXOLANE; 2-BENZOYLOXYMETHYL-4-(CYTOSIN-1'-YL)-1,3-DIOXOLANE; ANTIVIRAL AGENTS, PARTICULARY FOR THE TREATMENT OF THE HIV INFECTIONS IN MAMMALS, ESPECIALLY HUMANS BIOCHEM PHARMA INC. (CA) 2002-02-26 US disclosed
EP-0711771-A2 Substituted-1,3-oxathiolanes with antiviral properties BIOCHEM PHARMA INC. (CA) 1996-05-15 EP disclosed
EP-0515144-A1 1,3-Oxathiolanes useful in the treatment of hepatitis BIOCHEM PHARMA INC. (CA) 1992-11-25 EP disclosed
EP-0382526-A2 Substituted -1,3-oxathiolanes with antiviral properties BIOCHEM PHARMA INC (CA) 1990-08-16 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 (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-20070037977-A1 Substituted-1, 3-oxathiolanes and substituted-1, 3-dioxolanes with antiviral properties IFNAR1, MAVS, IFNG ALB 1678/4885MAPT 4740/4885LMNA 4245/4885
US-20070037975-A1 Substituted-1,3-oxathiolanes and substituted-1, 3-dioxolanes with antiviral properties IFNAR1, MAVS, IFNG ALB 1877/4885MAPT 4789/4885LMNA 4227/4885
US-20030087918-A1 Synthesis of substituted 1,3-dioxolanes and substituted 1,3-oxathiolanes with antiviral properties IFNAR1, ZC3HAV1, NUDT1 ALB 2629/4885MAPT 4729/4885LMNA 3528/4885
US-20040254201-A1 Substituted-1,3-oxathiolanes and substituted-1,3-dioxolanes with antiviral properties IFNAR1, ZC3HAV1, MAVS ALB 2403/4885MAPT 4712/4885LMNA 3612/4885

“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.