SCHEMBL335263

SCHEMBL335263

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.42
PKM P14618 3/20 0.39
CYP4F2 P78329 3/20 0.38
CYP4A11 Q02928 3/20 0.38
HTT P42858 2/20 0.36
HPGD P15428 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
THRB P10828 1/20 0.34
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 4/20 0.31
CYP3A4 P08684 3/20 0.31
CYP1A2 P05177 3/20 0.31
TSHR P16473 2/20 0.31
MAPT P10636 1/20 0.31
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ABCB11 O95342 1/20 0.31
HTR2A P28223 1/20 0.31
PMP22 Q01453 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
SCHEMBL17035645 0.82 MMP8 (0.53) MMP8PKMCYP4F2CYP4A11HTT
SCHEMBL334816 0.78 MMP8 (0.56) MMP8PKMCYP4F2CYP4A11HTT
SCHEMBL8166608 0.78 MMP8 (0.38) MMP8PKMCYP4F2CYP4A11HTT
SCHEMBL2555317 0.77 PKM (0.46) MMP8PKMCYP4F2CYP4A11HTT
SCHEMBL10595927 0.77 PKM (0.40) MMP8PKMCYP4F2CYP4A11HTT
SCHEMBL27740818 0.76 CTSK (0.34) MEN1KMT2AMAPTATML3MBTL1
SCHEMBL234357 0.76 MEN1 (0.53) MMP8PKMCYP4F2CYP4A11HTT
SCHEMBL6127085 0.76 ALDH1A1 (0.36) MEN1KMT2AALDH1A1CYP3A4L3MBTL1
SCHEMBL23907058 0.75 MMP8 (0.45) MMP8PKMCYP4F2CYP4A11HTT
SCHEMBL7631636 0.75 MMP8 (0.45) MMP8PKMCYP4F2CYP4A11HTT

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10377700-B2 Process for the recovery of a boronic acid BRACCO IMAGING S.P.A. (IT) 2019-08-13 US disclosed
US-20190077745-A1 PROCESS FOR THE PREPARATION OF IOPAMIDOL BRACCO IMAGING S.P.A. (IT) 2019-03-14 US disclosed
US-20190071392-A1 PROCESS FOR THE PREPARATION OF IOPAMIDOL BRACCO IMAGING S.P.A. (IT) 2019-03-07 US disclosed
EP-3369724-A1 PROCESS FOR THE PREPARATION OF IOPAMIDOL Bracco Imaging SPA (IT) 2018-09-05 EP disclosed
US-9950991-B2 Process for the preparation of iopamidol BRACCO IMAGING S.P.A. (IT) 2018-04-24 US disclosed
EP-3066071-B1 PROCESS FOR THE PREPARATION OF IOPAMIDOL BRACCO IMAGING SPA (IT) 2018-04-18 EP disclosed
EP-3066071-A1 PROCESS FOR THE PREPARATION OF IOPAMIDOL Bracco Imaging S.p.A (IT) 2016-09-14 EP disclosed
US-20160237026-A1 PROCESS FOR THE PREPARATION OF IOPAMIDOL BRACCO IMAGING S.P.A. (IT) 2016-08-18 US disclosed
WO-2015067601-A1 PROCESS FOR THE PREPARATION OF IOPAMIDOL BRACCO IMAGING SPA (IT) 2015-05-14 WO 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-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 (6 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-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 2564/4885PKM 4004/4885CYP4F2 384/4885
US-20190071392-A1 PROCESS FOR THE PREPARATION OF IOPAMIDOL ITPR3, KCNH3, ITPR2 MMP8 3347/4885PKM 1043/4885CYP4F2 1314/4885
US-10377700-B2 Process for the recovery of a boronic acid BRS3, ELOB, SCO2 MMP8 4781/4885PKM 3276/4885CYP4F2 764/4885
US-20190077745-A1 PROCESS FOR THE PREPARATION OF IOPAMIDOL KCNH3, ITPR3, ITPR2 MMP8 3501/4885PKM 882/4885CYP4F2 1359/4885
US-20160237026-A1 PROCESS FOR THE PREPARATION OF IOPAMIDOL ITPR3, KCNH3, ITPR2 MMP8 3410/4885PKM 1020/4885CYP4F2 1321/4885
US-20090306057-A1 [1,2,4]THIADIAZINE 1,1-DIOXIDE COMPOUNDS CYP2E1, CYP1A1, CYP1B1 MMP8 4268/4885PKM 4434/4885CYP4F2 156/4885

“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.