Sugi Predict

Sugi Predict / Compounds / SCHEMBL335460

SCHEMBL335460

SCHEMBL335460

CCOC(=O)C(C)(CCC(C)C)CNCc1ccc(F)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.42
▸ KMT2A Q03164 4/20 0.41
▸ LMNA P02545 3/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ CYP2D6 P10635 2/20 0.41
▸ CYP2C9 P11712 2/20 0.41
▸ CYP2C19 P33261 2/20 0.41
▸ HTT P42858 1/20 0.41
▸ HPGD P15428 2/20 0.41
▸ TSHR P16473 1/20 0.40
▸ EPHX2 P34913 1/20 0.40
▸ PPARG P37231 1/20 0.40
▸ POLB P06746 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ KCNQ3 O43525 1/20 0.38

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
SCHEMBL335010 0.73 MMP8 (0.41) MAPK1LMNAHTTHPGDSMN1; SMN2
SCHEMBL334806 0.71 LMNA (0.51) MAPK1KMT2ALMNACYP3A4CYP2D6
SCHEMBL23907058 0.70 MMP8 (0.45) KMT2ALMNACYP3A4CYP2C9CYP2C19
SCHEMBL334591 0.70 LMNA (0.47) MAPK1KMT2ALMNACYP3A4CYP2D6
SCHEMBL334723 0.69 EPHX2 (0.52) KMT2ALMNAHPGDTSHREPHX2
SCHEMBL335020 0.69 LMNA (0.49) MAPK1KMT2ALMNAHPGDTSHR
SCHEMBL335369 0.69 MMP8 (0.39) KMT2AHTTHPGDPOLBMEN1
SCHEMBL3176370 0.69 LMNA (0.51) MAPK1KMT2ALMNACYP2C9CYP2C19
SCHEMBL335358 0.68 EPHX2 (0.53) KMT2ALMNACYP2D6HPGDTSHR
SCHEMBL16839699 0.68 KCNQ2 (0.49) MAPK1KMT2AEPHX2PPARGPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-8097613-B2 [1,2,4]thiadiazine 1,1-dioxide compounds ANADYS PHARMACEUTICALS, INC. (US) 2012-01-17 — — 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
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
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 MAPK1 1756/4885KMT2A 1745/4885LMNA 4759/4885
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 MAPK1 2669/4885KMT2A 2911/4885LMNA 4196/4885
US-20090306057-A1 [1,2,4]THIADIAZINE 1,1-DIOXIDE COMPOUNDS CYP2E1, CYP1A1, CYP1B1 MAPK1 2493/4885KMT2A 3143/4885LMNA 4837/4885

“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.