SCHEMBL3737736

SCHEMBL3737736

CCOC(=O)C(C)(CC=C(C)C)C(C)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 2/20 0.41
PKM P14618 3/20 0.40
THRB P10828 1/20 0.40
HTT P42858 1/20 0.39
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CYP4F2 P78329 3/20 0.36
CYP4A11 Q02928 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPT P10636 1/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPK1 P28482 1/20 0.33
GLO1 Q04760 1/20 0.33
ABCB11 O95342 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33

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
SCHEMBL335584 0.92 PKM (0.43) MMP8PKMTHRBHTTKDM4E
SCHEMBL11136882 0.87 MMP8 (0.40) MMP8PKMTHRBHTTKDM4E
SCHEMBL14815133 0.86 ALOX15 (0.47) ALDH1A1KMT2AALOX15
SCHEMBL2438993 0.86 MMP8 (0.39) MMP8PKMTHRBHTTKDM4E
SCHEMBL13287418 0.86 MMP8 (0.39) MMP8PKMTHRBHTTKDM4E
SCHEMBL14825973 0.85 GGPS1 (0.47) ALDH1A1KMT2AALOX15
SCHEMBL31739557 0.81 MMP8 (0.41) MMP8PKMTHRBHTTKDM4E
SCHEMBL10655712 0.81 CYP4F2 (0.46) MMP8PKMTHRBHTTKDM4E
SCHEMBL2316349 0.78 MMP8 (0.47) MMP8PKMTHRBHTTKDM4E
SCHEMBL10836337 0.78 PKM (0.41) MMP8PKMTHRBHTTKDM4E

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-20220274913-A1 PROCESS FOR MANUFACTURING A SUBSTITUTED CYCLOHEXANECARBONITRILE SOLVAY SA (BE) 2022-09-01 US disclosed
EP-4028383-A1 PROCESS FOR MANUFACTURING A SUBSTITUTED CYCLOHEXANECARBONITRILE SOLVAY SA (BE) 2022-07-20 EP disclosed
CN-114401944-A Process for making substituted cyclohexanecarbonitriles 索尔维公司 2022-04-26 CN disclosed
WO-2021048364-A1 PROCESS FOR MANUFACTURING A SUBSTITUTED CYCLOHEXANECARBONITRILE SOLVAY SA (BE) 2021-03-18 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-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-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
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 (2 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 4312/4885PKM 2763/4885THRB 2095/4885
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 2564/4885PKM 4004/4885THRB 3366/4885

“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.