SCHEMBL334816

SCHEMBL334816

CCOC(=O)C(C)(CCC(C)C)C(=O)OCC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 2/20 0.56
CYP4F2 P78329 3/20 0.42
CYP4A11 Q02928 3/20 0.42
HTT P42858 2/20 0.39
HPGD P15428 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
PKM P14618 3/20 0.38
THRB P10828 1/20 0.38
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MAPT P10636 1/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ABCB11 O95342 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
TSHR P16473 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
SCHEMBL6127082 0.91 MMP8 (0.51) MMP8CYP4F2CYP4A11HTTHPGD
SCHEMBL234357 0.82 MEN1 (0.53) MMP8CYP4F2CYP4A11HTTHPGD
SCHEMBL7631636 0.81 MMP8 (0.45) MMP8CYP4F2CYP4A11HTTHPGD
SCHEMBL28308283 0.81 MMP8 (0.45) MMP8CYP4F2CYP4A11HTTHPGD
SCHEMBL23907058 0.81 MMP8 (0.45) MMP8CYP4F2CYP4A11HTTHPGD
SCHEMBL4426319 0.79 MMP8 (0.76) MMP8CYP4F2CYP4A11HTTMEN1
SCHEMBL3145666 0.79 MMP8 (0.48) MMP8CYP4F2CYP4A11HTTMEN1
SCHEMBL28077465 0.78 MEN1 (0.46) MMP8CYP4F2CYP4A11HTTHPGD
SCHEMBL7781952 0.78 MMP8 (0.50) MMP8CYP4F2CYP4A11HTTHPGD
SCHEMBL234332 0.78 MMP8 (0.42) MMP8CYP4F2CYP4A11HTTHPGD

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
CN-102316871-B [1,2,4]thiadiazine 1,1-dioxide compounds ANADYS PHARMACEUTICALS INC 2014-06-04 CN disclosed
US-8222404-B2 [1,2,4]Thiadiazin-3-yl acetic acid compound and methods of making the acetic acid compound ANADYS PHARMACEUTICALS, INC. (US) 2012-07-17 US disclosed
US-8222404-B2 [1,2,4]Thiadiazin-3-yl acetic acid compound and methods of making the acetic acid compound ANADYS PHARMACEUTICALS, INC. (US) 2012-07-17 US disclosed
US-20120116077-A1 [1,2,4]THIADIAZIN-3-YL ACETIC ACID COMPOUND[[S]] AND METHODS OF MAKING THE ACETIC ACID COMPOUND ANADYS PHARMACEUTICALS, INC. (US) 2012-05-10 US disclosed
US-20120116077-A1 [1,2,4]THIADIAZIN-3-YL ACETIC ACID COMPOUND[[S]] AND METHODS OF MAKING THE ACETIC ACID COMPOUND ANADYS PHARMACEUTICALS, INC. (US) 2012-05-10 US disclosed
US-8097613-B2 [1,2,4]thiadiazine 1,1-dioxide compounds ANADYS PHARMACEUTICALS, INC. (US) 2012-01-17 US disclosed
US-8097613-B2 [1,2,4]thiadiazine 1,1-dioxide compounds ANADYS PHARMACEUTICALS, INC. (US) 2012-01-17 US disclosed
US-8097613-B2 [1,2,4]thiadiazine 1,1-dioxide compounds ANADYS PHARMACEUTICALS, INC. (US) 2012-01-17 US disclosed
CN-102316871-A [1,2,4]thiadiazine 1,1-dioxide compounds ANADYS PHARMACEUTICALS INC 2012-01-11 CN disclosed
US-7834009-B2 4-hydroxy-5,6-dihydro-1H-pyridin-2-one compounds ANADYS PHARMACEUTICALS, INC. (US) 2010-11-16 US disclosed
US-7834009-B2 4-hydroxy-5,6-dihydro-1H-pyridin-2-one compounds ANADYS PHARMACEUTICALS, INC. (US) 2010-11-16 US disclosed
US-7834009-B2 4-hydroxy-5,6-dihydro-1H-pyridin-2-one compounds ANADYS PHARMACEUTICALS, INC. (US) 2010-11-16 US disclosed
WO-2009152166-A1 [1,2,4]THIADIAZINE 1,1-DIOXIDE COMPOUNDS ANADYS PHARMACEUTICALS, INC. (US) 2009-12-17 WO disclosed
WO-2009152166-A1 [1,2,4]THIADIAZINE 1,1-DIOXIDE COMPOUNDS ANADYS PHARMACEUTICALS, INC. (US) 2009-12-17 WO disclosed
US-20090306057-A1 [1,2,4]THIADIAZINE 1,1-DIOXIDE COMPOUNDS ANADYS PHARMACEUTICALS, INC. (US) 2009-12-10 US disclosed
US-20090306057-A1 [1,2,4]THIADIAZINE 1,1-DIOXIDE COMPOUNDS ANADYS PHARMACEUTICALS, INC. (US) 2009-12-10 US disclosed
US-20090306057-A1 [1,2,4]THIADIAZINE 1,1-DIOXIDE COMPOUNDS ANADYS PHARMACEUTICALS, INC. (US) 2009-12-10 US disclosed
US-20090062263-A1 treating hepatitis C virus infections; inhibitor of HCV NS5B polymerase; N-{3-[1-(4-Fluoro-benzyl)-4-hydroxy-5-(3-methyl-butyl)-2-oxo-1,2,5,6-tetrahydro-pyridin-3-yl]-1,1-dioxo-1,4-dihydro-1(lambda 6)-benzo[1,2,4]thiadiazin-7-yl}-methanesulfonamide; coadministering with additional therapeutic agent ANADYS PHARMACEUTICALS, INC. 2009-03-05 US disclosed
US-20090062263-A1 treating hepatitis C virus infections; inhibitor of HCV NS5B polymerase; N-{3-[1-(4-Fluoro-benzyl)-4-hydroxy-5-(3-methyl-butyl)-2-oxo-1,2,5,6-tetrahydro-pyridin-3-yl]-1,1-dioxo-1,4-dihydro-1(lambda 6)-benzo[1,2,4]thiadiazin-7-yl}-methanesulfonamide; coadministering with additional therapeutic agent ANADYS PHARMACEUTICALS, INC. 2009-03-05 US disclosed
US-20090062263-A1 treating hepatitis C virus infections; inhibitor of HCV NS5B polymerase; N-{3-[1-(4-Fluoro-benzyl)-4-hydroxy-5-(3-methyl-butyl)-2-oxo-1,2,5,6-tetrahydro-pyridin-3-yl]-1,1-dioxo-1,4-dihydro-1(lambda 6)-benzo[1,2,4]thiadiazin-7-yl}-methanesulfonamide; coadministering with additional therapeutic agent ANADYS PHARMACEUTICALS, INC. 2009-03-05 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-20120116077-A1 [1,2,4]THIADIAZIN-3-YL ACETIC ACID COMPOUND[[S]] AND METHODS OF MAKING THE ACETIC ACID COMPOUND ACMSD, ACACA, ALDH1A1 MMP8 4312/4885CYP4F2 1498/4885CYP4A11 249/4885
US-20090062263-A1 treating hepatitis C virus infections; inhibitor of HCV NS5B polymerase; N-{3-[1-(4-Fluoro-benzyl)-4-hydroxy-5-(3-methyl-butyl)-2-oxo-1,2,5,6-tetrahydro-pyridin-3-yl]-1,1-dioxo-1,4-dihydro-1(lambda 6)-benzo[1,2,4]thiadiazin-7-yl}-methanesulfonamide; coadministering with additional therapeutic agent HAVCR2, TPMT, CYP2B6 MMP8 2564/4885CYP4F2 384/4885CYP4A11 409/4885
US-20090306057-A1 [1,2,4]THIADIAZINE 1,1-DIOXIDE COMPOUNDS CYP2E1, CYP1A1, CYP1B1 MMP8 4268/4885CYP4F2 156/4885CYP4A11 64/4885

“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.