SCHEMBL5426437

SCHEMBL5426437

CC(=O)OCC1OCCS1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 2/20 0.39
PDK1 Q15118 1/20 0.39
ALDH1A1 P00352 3/20 0.34
LMNA P02545 2/20 0.33
HSD17B10 Q99714 1/20 0.33
POLB P06746 1/20 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
SCHEMBL7550159 0.79 NLRP3 (0.44) NLRP3ALDH1A1LMNAPOLB
SCHEMBL22125852 0.76
SCHEMBL11205239 0.73 NLRP3 (0.44) NLRP3PDK1ALDH1A1LMNAHSD17B10
SCHEMBL15700230 0.72 NLRP3 (0.36) NLRP3PDK1ALDH1A1HSD17B10
SCHEMBL21662453 0.70 NLRP3 (0.34) NLRP3PDK1ALDH1A1LMNAHSD17B10
SCHEMBL5013481 0.69
SCHEMBL10290385 0.69 LMNA (0.64) PDK1ALDH1A1LMNAPOLB
SCHEMBL17269992 0.69 LMNA (0.64) PDK1ALDH1A1LMNAPOLB
SCHEMBL118897 0.69 LMNA (0.64) PDK1ALDH1A1LMNAPOLB
SCHEMBL1023407 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6903224-B2 Substituted 1,3-oxathiolanes BIOCHEM PHARMA INC. (CA) 2005-06-07 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-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
US-6903224-B2 Substituted 1,3-oxathiolanes BIOCHEM PHARMA INC. (CA) 2005-06-07 US disclosed
US-6897322-B2 Method of producing 1-alkyl-3-aryl-5-difluoromethoxy-1H-pyrazoles BASF AKTIENGESELLSCHAFT (DE) 2005-05-24 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
US-20040059128-A1 Method of producing 1-alkyl-3-aryl-5-difluoromethoxy-ih-pyrazoles BASF AKTIENGESELLSCHAFT (DE) 2004-03-25 US 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

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 NLRP3 1499/4885PDK1 994/4885ALDH1A1 848/4885
US-20070037975-A1 Substituted-1,3-oxathiolanes and substituted-1, 3-dioxolanes with antiviral properties IFNAR1, MAVS, IFNG NLRP3 1468/4885PDK1 986/4885ALDH1A1 911/4885
US-20040059128-A1 Method of producing 1-alkyl-3-aryl-5-difluoromethoxy-ih-pyrazoles CYP2E1, CYP2F1, CYP1A1 NLRP3 3178/4885PDK1 748/4885ALDH1A1 28/4885
US-20030087918-A1 Synthesis of substituted 1,3-dioxolanes and substituted 1,3-oxathiolanes with antiviral properties IFNAR1, ZC3HAV1, NUDT1 NLRP3 1527/4885PDK1 1326/4885ALDH1A1 585/4885
US-20040254201-A1 Substituted-1,3-oxathiolanes and substituted-1,3-dioxolanes with antiviral properties IFNAR1, ZC3HAV1, MAVS NLRP3 1354/4885PDK1 1532/4885ALDH1A1 483/4885

“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.