SCHEMBL1932609

SCHEMBL1932609

COc1ccc(C(=O)OCC=O)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.58
CA2 P00918 5/20 0.58
ESR2 Q92731 1/20 0.55
MAPT P10636 3/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
CES2 O00748 1/20 0.52
CES1 P23141 1/20 0.52
ADRB2 P07550 1/20 0.50
ADRB1 P08588 1/20 0.50
ADRB3 P13945 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C19 P33261 1/20 0.49
GSK3B P49841 1/20 0.49
HDAC3 O15379 1/20 0.49

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
SCHEMBL6272290 0.87 ESR1 (0.47) CA1CA2ESR2SMN1; SMN2MEN1
SCHEMBL9419949 0.84 CA1 (0.56) CA1CA2ESR2MAPTNPC1
SCHEMBL5663821 0.81 TRPV1 (0.56) CA1CA2ESR2MAPTNPC1
SCHEMBL27029419 0.81 CA1 (0.53) CA1CA2ESR2MAPTNPC1
SCHEMBL27029434 0.81 CA1 (0.53) CA1CA2ESR2MAPTNPC1
SCHEMBL24938412 0.81 MAPT (0.56) CA1CA2ESR2MAPTNPC1
SCHEMBL11985689 0.81 MAPT (0.73) CA1CA2ESR2MAPTNPC1
SCHEMBL5663408 0.80 CES2 (0.57) ESR2MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL9296377 0.79 MAPT (0.50) CA1CA2ESR2MAPTMEN1
4-Methoxybenzoic Acid Ethyl Ester SCHEMBL203475 0.79 CA1 (0.66) CA1CA2ESR2MAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1461041-A4 PREPARATION OF INTERMEDIATES USEFUL IN THE SYNTHESIS OF ANTIVIRAL NUCLEOSIDES PHARMASSET LTD (BB) 2006-03-29 EP claimed
EP-1461041-A2 PREPARATION OF INTERMEDIATES USEFUL IN THE SYNTHESIS OF ANTIVIRAL NUCLEOSIDES Pharmasset Ltd. (BB) 2004-09-29 EP claimed
US-20030162992-A1 Reacting a 2,2-dialkoxyethyl halide with an appropriate carboxylate compound to obtain acetal compound; hydrolyzing the acetal to form the alpha -acyloxyacetaldehyde PHARMASSET, INC. 2003-08-28 US claimed
WO-2003051298-A2 PREPARATION OF INTERMEDIATES USEFUL IN THE SYNTHESIS OF ANTIVIRAL NUCLEOSIDES PHARMASSET LTD. (BB) 2003-06-26 WO claimed
EP-1720840-B1 METHODS TO MANUFACTURE 1,3-DIOXOLANE NUCLEOSIDES UNIV EMORY (US) 2016-02-03 EP disclosed
EP-1720840-B1 METHODS TO MANUFACTURE 1,3-DIOXOLANE NUCLEOSIDES UNIV EMORY (US) 2016-02-03 EP disclosed
US-8420354-B2 Methods to manufacture 1,3-dioxolane nucleosides EMORY UNIVERSITY (US) 2013-04-16 US disclosed
US-8420354-B2 Methods to manufacture 1,3-dioxolane nucleosides EMORY UNIVERSITY (US) 2013-04-16 US disclosed
US-20110130559-A1 Methods to Manufacture 1,3-Dioxolane Nucleosides GILEAD SCIENCES, INC. (US) 2011-06-02 US disclosed
US-20110130559-A1 Methods to Manufacture 1,3-Dioxolane Nucleosides GILEAD SCIENCES, INC. (US) 2011-06-02 US disclosed
US-7785839-B2 Methods to manufacture 1,3-dioxolane nucleosides EMORY UNIVERSITY (US) 2010-08-31 US disclosed
US-7785839-B2 Methods to manufacture 1,3-dioxolane nucleosides EMORY UNIVERSITY (US) 2010-08-31 US disclosed
US-7785839-B2 Methods to manufacture 1,3-dioxolane nucleosides EMORY UNIVERSITY (US) 2010-08-31 US disclosed
EP-1720840-A4 METHODS TO MANUFACTURE 1,3-DIOXOLANE NUCLEOSIDES UNIV EMORY (US) 2009-01-21 EP disclosed
EP-1720840-A2 METHODS TO MANUFACTURE 1,3-DIOXOLANE NUCLEOSIDES EMORY UNIVERSITY (US) 2006-11-15 EP disclosed
US-20060036092-A1 Methods to manufacture 1,3-dioxolane nucleosides SZNAIDMAN MARCOS 2006-02-16 US disclosed
WO-2005074654-A2 METHODS TO MANUFACTURE 1,3-DIOXOLANE NUCLEOSIDES EMORY UNIVERSITY (US) 2005-08-18 WO disclosed
US-20030162992-A1 Reacting a 2,2-dialkoxyethyl halide with an appropriate carboxylate compound to obtain acetal compound; hydrolyzing the acetal to form the alpha -acyloxyacetaldehyde PHARMASSET, INC. 2003-08-28 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 (3 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-20060036092-A1 Methods to manufacture 1,3-dioxolane nucleosides DCTD, AMPD1, DAD1 CA1 859/4885CA2 3735/4885ESR2 4534/4885
US-20110130559-A1 Methods to Manufacture 1,3-Dioxolane Nucleosides DCTD, AMPD1, DAD1 CA1 776/4885CA2 3656/4885ESR2 4496/4885
US-20030162992-A1 Reacting a 2,2-dialkoxyethyl halide with an appropriate carboxylate compound to obtain acetal compound; hydrolyzing the acetal to form the alpha -acyloxyacetaldehyde DERA, DPYD, DHPS CA1 639/4885CA2 1624/4885ESR2 4776/4885

“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.