SCHEMBL475955

SCHEMBL475955

CCOC(=O)/C(C)=C/C1COC(C)(C)O1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.36
NPSR1 Q6W5P4 2/20 0.35
GLO1 Q04760 1/20 0.35
CA2 P00918 2/20 0.35
ALDH1A1 P00352 6/20 0.33
KDM4E B2RXH2 4/20 0.33
MAPT P10636 3/20 0.33
GAA P10253 1/20 0.33
POLB P06746 1/20 0.32
CTDSP1 Q9GZU7 1/20 0.32
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL768274 1.00 LMNA (0.36) LMNANPSR1GLO1CA2ALDH1A1
SCHEMBL3218626 1.00 LMNA (0.36) LMNANPSR1GLO1CA2ALDH1A1
SCHEMBL3218630 1.00 LMNA (0.36) LMNANPSR1GLO1CA2ALDH1A1
SCHEMBL5036637 0.89 NPSR1 (0.43) LMNANPSR1GLO1CA2ALDH1A1
SCHEMBL13482824 0.85 LMNA (0.34) LMNANPSR1GLO1CA2ALDH1A1
SCHEMBL13482836 0.85 LMNA (0.34) LMNANPSR1GLO1CA2ALDH1A1
SCHEMBL12157202 0.85 LMNA (0.34) LMNANPSR1GLO1CA2ALDH1A1
SCHEMBL15763405 0.85 CA2 (0.33) CA2
SCHEMBL4421280 0.85 NPSR1 (0.40) LMNANPSR1GLO1ALDH1A1KDM4E
SCHEMBL3683013 0.83 CA2 (0.34) CA2

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-20170253584-A1 PREPARATION OF 2'-FLUORO-2'-ALKYL-SUBSTITUTED OR OTHER OPTIONALLY SUBSTITUTED RIBOFURANOSYL PYRIMIDINES AND PURINES AND THEIR DERIVATIVES GILEAD PHARMASSET LLC (US) 2017-09-07 US disclosed
US-20170253584-A1 PREPARATION OF 2'-FLUORO-2'-ALKYL-SUBSTITUTED OR OTHER OPTIONALLY SUBSTITUTED RIBOFURANOSYL PYRIMIDINES AND PURINES AND THEIR DERIVATIVES GILEAD PHARMASSET LLC (US) 2017-09-07 US disclosed
US-9457039-B2 2′-disubstituted nucleoside derivatives and methods of use thereof for the treatment of viral diseases MERCK SHARP & DOHME CORP. (US) 2016-10-04 US disclosed
US-20160045526-A1 2'-DISUBSTITUTED NUCLEOSIDE DERIVATIVES AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2016-02-18 US disclosed
US-9242988-B2 2′-cyano substituted nucleoside derivatives and methods of use thereof for the treatment of viral diseases MERCK SHARP & DOHME CORP. (US) 2016-01-26 US disclosed
US-9156872-B2 2′-azido substituted nucleoside derivatives and methods of use thereof for the treatment of viral diseases MERCK SHARP & DOHME CORP. (US) 2015-10-13 US disclosed
US-9150603-B2 2′-cyano substituted nucleoside derivatives and methods of use thereof useful for the treatment of viral diseases MERCK SHARP & DOHME CORP. (US) 2015-10-06 US disclosed
US-20150274739-A1 2'-CYANO SUBSTITUTED NUCLEOSIDE DERIVATIVES AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2015-10-01 US disclosed
US-8912321-B2 Preparation of nucleosides ribofuranosyl pyrimidines GILEAD PHARMASSET LLC (US) 2014-12-16 US disclosed
US-20140206640-A1 2'-AZIDO SUBSTITUTED NUCLEOSIDE DERIVATIVES AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2014-07-24 US disclosed
US-20140161770-A1 2'-CYANO SUBSTITUTED NUCLEOSIDE DERIVATIVES AND METHODS OF USE THEREOF USEFUL FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2014-06-12 US disclosed
US-8492539-B2 Preparation of 2′-fluoro-2′-alkyl-substituted or other optionally substituted ribofuranosyl pyrimidines and purines and their derivatives GILEAD PHARMASSET LLC (US) 2013-07-23 US disclosed
EP-1773856-B1 PREPARATION OF ALKYL-SUBSTITUTED 2-DEOXY-2-FLUORO-D-RIBOFURANOSYL PYRIMIDINES AND PURINES AND THEIR DERIVATIVES PHARMASSET INC (US) 2012-02-01 EP disclosed
EP-2348029-A1 Preparation of alkyl-substituted 2-deoxy-2-fluoro-d-ribofuranosyl pyrimidines and purines and their derivatives Pharmasset, Inc. (US) 2011-07-27 EP disclosed
US-20100234585-A1 PREPARATION OF ALKYL-SUBSTITUTED 2-DEOXY-2-FLUORO-D-RIBOFURANOSYL PYRIMIDINES AND PURINES AND THEIR DERIVATIVES PHARMASSET, INC. (US) 2010-09-16 US disclosed
US-20100056770-A1 PREPARATION OF NUCLEOSIDES RIBOFURANOSYL PYRIMIDINES GILEAD PHARMASSET LLC 2010-03-04 US disclosed
US-20100048917-A1 PREPARATION OF ALKYL-SUBSTITUTED 2-DEOXY-2-FLUORO-D-RIBOFURANOSYL PYRIMIDINES AND PURINES AND THEIR DERIVATIVES PHARMASSETT, INC. (US) 2010-02-25 US disclosed
US-7601820-B2 Preparation of alkyl-substituted 2-deoxy-2-fluoro-D-ribofuranosyl pyrimidines and purines and their derivatives PHARMASSET, INC. (US) 2009-10-13 US disclosed
US-20080139802-A1 Converting 2'-deoxy-2'-fluoro-2'-methyl-D-ribonolactones derivatives to 3-fluoro-3-methyl-2-chlorofuran compounds using chlorinating agent such as sulfuryl chloride, thionyl chloride or phosphorus oxychloride and tetrabutylammonium bromide PHARMASSET, INC. 2008-06-12 US disclosed
US-20060199783-A1 Preparation of alkyl-substituted 2-deoxy-2-fluoro-D-ribofuranosyl pyrimidines and purines and their derivatives PHARMASSETT, INC. (US) 2006-09-07 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 (10 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-20100048917-A1 PREPARATION OF ALKYL-SUBSTITUTED 2-DEOXY-2-FLUORO-D-RIBOFURANOSYL PYRIMIDINES AND PURINES AND THEIR DERIVATIVES NSUN2, FBL, UMPS LMNA 633/4885NPSR1 3919/4885GLO1 3487/4885
US-20140161770-A1 2'-CYANO SUBSTITUTED NUCLEOSIDE DERIVATIVES AND METHODS OF USE THEREOF USEFUL FOR THE TREATMENT OF VIRAL DISEASES HCCS, NSUN2, PNP LMNA 428/4885NPSR1 1886/4885GLO1 2263/4885
US-20150274739-A1 2'-CYANO SUBSTITUTED NUCLEOSIDE DERIVATIVES AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES NSUN2, RNGTT, NT5C3B LMNA 1891/4885NPSR1 2206/4885GLO1 2267/4885
US-20080139802-A1 Converting 2'-deoxy-2'-fluoro-2'-methyl-D-ribonolactones derivatives to 3-fluoro-3-methyl-2-chlorofuran compounds using chlorinating agent such as sulfuryl chloride, thionyl chloride or phosphorus oxychloride and tetrabutylammonium bromide FBL, NSUN2, RNGTT LMNA 3568/4885NPSR1 3725/4885GLO1 2382/4885
US-20060199783-A1 Preparation of alkyl-substituted 2-deoxy-2-fluoro-D-ribofuranosyl pyrimidines and purines and their derivatives NSUN2, FBL, UMPS LMNA 772/4885NPSR1 3945/4885GLO1 3536/4885
US-20160045526-A1 2'-DISUBSTITUTED NUCLEOSIDE DERIVATIVES AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES SLC28A2, SLC28A1, SLC29A2 LMNA 2309/4885NPSR1 890/4885GLO1 4060/4885
US-20140206640-A1 2'-AZIDO SUBSTITUTED NUCLEOSIDE DERIVATIVES AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES ADAR, SLC29A1, SLC28A1 LMNA 1948/4885NPSR1 1455/4885GLO1 3871/4885
US-20100234585-A1 PREPARATION OF ALKYL-SUBSTITUTED 2-DEOXY-2-FLUORO-D-RIBOFURANOSYL PYRIMIDINES AND PURINES AND THEIR DERIVATIVES NSUN2, FBL, UMPS LMNA 633/4885NPSR1 3919/4885GLO1 3487/4885
US-20170253584-A1 PREPARATION OF 2'-FLUORO-2'-ALKYL-SUBSTITUTED OR OTHER OPTIONALLY SUBSTITUTED RIBOFURANOSYL PYRIMIDINES AND PURINES AND THEIR DERIVATIVES NSUN2, FBL, RNGTT LMNA 471/4885NPSR1 4213/4885GLO1 3364/4885
US-20100056770-A1 PREPARATION OF NUCLEOSIDES RIBOFURANOSYL PYRIMIDINES RNGTT, UMPS, NT5C3B LMNA 3790/4885NPSR1 2359/4885GLO1 4124/4885

“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.