SCHEMBL335086

SCHEMBL335086

CCOC(=O)c1c(O)c(-c2cccs2)nn(CCC(C)C)c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.46
KDM4E B2RXH2 8/20 0.46
NPSR1 Q6W5P4 7/20 0.46
HPGD P15428 5/20 0.46
TDP1 Q9NUW8 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MAPT P10636 2/20 0.43
HIF1A Q16665 2/20 0.43
GAA P10253 1/20 0.43
KEAP1 Q14145 1/20 0.43
TP53 P04637 2/20 0.42
POLB P06746 1/20 0.42
LMNA P02545 2/20 0.41
HTT P42858 2/20 0.40
ADORA1 P30542 1/20 0.40
KMT2A Q03164 2/20 0.40
HSD17B10 Q99714 1/20 0.39
USP2 O75604 1/20 0.39
TSHR P16473 1/20 0.39
MEN1 O00255 1/20 0.39

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
SCHEMBL5085621 0.86 FEN1 (0.44) ALDH1A1KDM4ENPSR1HPGDSMN1; SMN2
SCHEMBL4575054 0.86 KDM4E (0.45) ALDH1A1KDM4ENPSR1HPGDTDP1
SCHEMBL14034290 0.84 ALDH1A1 (0.41) ALDH1A1KDM4ENPSR1HPGDTDP1
SCHEMBL4574585 0.84 KDM4E (0.43) ALDH1A1KDM4ENPSR1HPGDTDP1
SCHEMBL14034566 0.81 ADORA1 (0.45) ALDH1A1KDM4ENPSR1HPGDSMN1; SMN2
SCHEMBL14006667 0.80 TSHR (0.43) ALDH1A1KDM4ENPSR1HPGDTDP1
SCHEMBL14006532 0.80 ALDH1A1 (0.42) ALDH1A1KDM4ENPSR1HPGDMAPT
SCHEMBL14007540 0.79 ADORA1 (0.42) ALDH1A1KDM4ENPSR1HPGDSMN1; SMN2
SCHEMBL14006537 0.79 ALDH1A1 (0.39) ALDH1A1KDM4ESMN1; SMN2MAPTLMNA
SCHEMBL4908131 0.78 ALDH1A1 (0.40) ALDH1A1KDM4ENPSR1HPGDTDP1

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 29 patents — showing the first 20. 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-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-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
WO-2009152166-A1 [1,2,4]THIADIAZINE 1,1-DIOXIDE COMPOUNDS ANADYS PHARMACEUTICALS, INC. (US) 2009-12-17 WO disclosed
US-20080275032-A1 Pyridazinone compounds ANADYS PHARMACEUTICALS, INC. 2008-11-06 US disclosed
US-20080275032-A1 Pyridazinone compounds ANADYS PHARMACEUTICALS, INC. 2008-11-06 US disclosed
US-7425552-B2 Antiviral agent especially to treat hepatitis C virus infections; 5-Hydroxy-4-(7-methoxy-1,1-dioxo-1,2-dihydro-1 lambda 6-benzo[1,2,4]thiadiazin-3-yl)-2-(3-methyl-butyl)-6-thiophen-2-yl-2H-py-ridazin-3-one; side effects reduction ANADYS PHARMACEUTICALS, INC. (US) 2008-09-16 US disclosed
US-7425552-B2 Antiviral agent especially to treat hepatitis C virus infections; 5-Hydroxy-4-(7-methoxy-1,1-dioxo-1,2-dihydro-1 lambda 6-benzo[1,2,4]thiadiazin-3-yl)-2-(3-methyl-butyl)-6-thiophen-2-yl-2H-py-ridazin-3-one; side effects reduction ANADYS PHARMACEUTICALS, INC. (US) 2008-09-16 US disclosed
US-7425552-B2 Antiviral agent especially to treat hepatitis C virus infections; 5-Hydroxy-4-(7-methoxy-1,1-dioxo-1,2-dihydro-1 lambda 6-benzo[1,2,4]thiadiazin-3-yl)-2-(3-methyl-butyl)-6-thiophen-2-yl-2H-py-ridazin-3-one; side effects reduction ANADYS PHARMACEUTICALS, INC. (US) 2008-09-16 US disclosed
WO-2008082725-A1 PYRIDAZINONE COMPOUNDS ANADYS PHARMACEUTICALS, INC. (US) 2008-07-10 WO disclosed
WO-2008082725-A1 PYRIDAZINONE COMPOUNDS ANADYS PHARMACEUTICALS, INC. (US) 2008-07-10 WO disclosed
EP-1824847-A2 PYRIDAZINONE COMPOUNDS Anadys Pharmaceuticals, Inc. (US) 2007-08-29 EP disclosed
US-20060189602-A1 Pyridazinone compounds ANADYS PHARMACEUTICALS, INC. (US) 2006-08-24 US disclosed
WO-2006066079-A2 PYRIDAZINONE COMPOUNDS ANADYS PHARMACEUTICALS, INC. (US) 2006-06-22 WO 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 ALDH1A1 3/4885KDM4E 2174/4885NPSR1 4391/4885
US-20060189602-A1 Pyridazinone compounds HAVCR2, PLPBP, CYP3A43 ALDH1A1 1191/4885KDM4E 3033/4885NPSR1 3482/4885
US-20080275032-A1 Pyridazinone compounds HAVCR2, PLPBP, CYP3A43 ALDH1A1 1191/4885KDM4E 3033/4885NPSR1 3482/4885

“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.