SCHEMBL334730

SCHEMBL334730

CCOC(=O)c1csc([N+](=O)[O-])c1SCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
RAB9A P51151 5/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
NPC1 O15118 4/20 0.46
TSHR P16473 4/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
MAPT P10636 4/20 0.44
GAA P10253 2/20 0.40
ADORA2A P29274 1/20 0.40
GSTP1 P09211 1/20 0.40
GSTM2 P28161 1/20 0.40
LMNA P02545 1/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
CYP3A4 P08684 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
SCHEMBL1523252 0.88 PKM (0.47) ALDH1A1RAB9ASMN1; SMN2NPC1MAPT
SCHEMBL28018641 0.84 ALDH1A1 (0.45) ALDH1A1RAB9ASMN1; SMN2MAPTGAA
SCHEMBL17886203 0.79 ALDH1A1 (0.47) ALDH1A1RAB9ASMN1; SMN2MAPTGSTP1
SCHEMBL4834129 0.77 ALDH1A1 (0.45) ALDH1A1RAB9ASMN1; SMN2NPC1MAPT
SCHEMBL16047399 0.76 HPGD (0.45) ALDH1A1RAB9ASMN1; SMN2NPC1TSHR
SCHEMBL5464409 0.75 MAPT (0.52) ALDH1A1RAB9ASMN1; SMN2NPC1TSHR
SCHEMBL335233 0.74 ALDH1A1 (0.45) ALDH1A1RAB9ASMN1; SMN2MAPTGAA
SCHEMBL335434 0.72 MAPT (0.50) ALDH1A1RAB9ASMN1; SMN2NPC1TSHR
SCHEMBL1799577 0.72 ALDH1A1 (0.45) ALDH1A1RAB9ASMN1; SMN2TSHRMAPT
SCHEMBL1799154 0.71 ALDH1A1 (0.44) ALDH1A1RAB9ASMN1; SMN2MAPTGSTP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8815847-B2 [1,2,4]thiadiazine 1,1-dioxide compounds for lowering serum uric acid ANADYS PHARMACEUTICALS, INC. (US) 2014-08-26 US disclosed
US-8815847-B2 [1,2,4]thiadiazine 1,1-dioxide compounds for lowering serum uric acid ANADYS PHARMACEUTICALS, INC. (US) 2014-08-26 US disclosed
US-8815847-B2 [1,2,4]thiadiazine 1,1-dioxide compounds for lowering serum uric acid ANADYS PHARMACEUTICALS, INC. (US) 2014-08-26 US disclosed
EP-2718273-A1 [1,2,4]THIADIAZINE 1,1-DIOXIDE COMPOUNDS FOR LOWERING SERUM URIC ACID Anadys Pharmaceuticals, Inc. (US) 2014-04-16 EP disclosed
WO-2012170536-A1 [1,2,4]THIADIAZINE 1,1-DIOXIDE COMPOUNDS FOR LOWERING SERUM URIC ACID ANADYS PHARMACEUTICALS, INC. (US) 2012-12-13 WO disclosed
WO-2012170536-A1 [1,2,4]THIADIAZINE 1,1-DIOXIDE COMPOUNDS FOR LOWERING SERUM URIC ACID ANADYS PHARMACEUTICALS, INC. (US) 2012-12-13 WO disclosed
US-20120316156-A1 [1,2,4]THIADIAZINE 1,1-DIOXIDE COMPOUNDS FOR LOWERING SERUM URIC ACID ANADYS PHARMACEUTICALS, INC. (US) 2012-12-13 US disclosed
US-20120316156-A1 [1,2,4]THIADIAZINE 1,1-DIOXIDE COMPOUNDS FOR LOWERING SERUM URIC ACID ANADYS PHARMACEUTICALS, INC. (US) 2012-12-13 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-8097613-B2 [1,2,4]thiadiazine 1,1-dioxide compounds ANADYS PHARMACEUTICALS, INC. (US) 2012-01-17 US disclosed
US-7951800-B2 Anti-infective agents ABBOTT LABORATORIES, INC. (US) 2011-05-31 US disclosed
US-20100120753-A1 Anti-Infective Agents ABBOTT LABORATORIES (US) 2010-05-13 US disclosed
US-7662958-B2 e.g. N-[3-{1-[(cyclobutyl)amino]-4-hydroxy-2-oxo-1,2-dihydro-quinolin -3-yl}-1,1-dioxo-1,4-dihydro-1 lambda 6-thieno[2,3-e][1,2,4]thiadiazin-7-yl)methyl]methane-sulfonamide; viricides for infections caused by an RNA-containing virus; hepatitis C virus (HCV) polymerase inhibitor; liver cirrhosis ABBVIE INC. 2010-02-16 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-20080214528-A1 ANTI-INFECTIVE AGENTS ABBVIE INC. 2008-09-04 US disclosed
WO-2008011337-A1 HCV INHIBITORS ABBOTT LABORATORIES (US) 2008-01-24 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 (4 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-20080214528-A1 ANTI-INFECTIVE AGENTS NQO2, RSU1, RRS1 ALDH1A1 1406/4885RAB9A 238/4885SMN1; SMN2 3505/4885
US-20100120753-A1 Anti-Infective Agents RSU1, NQO2, RRS1 ALDH1A1 1719/4885RAB9A 216/4885SMN1; SMN2 3358/4885
US-20120316156-A1 [1,2,4]THIADIAZINE 1,1-DIOXIDE COMPOUNDS FOR LOWERING SERUM URIC ACID THOP1, XDH, DUOX1 ALDH1A1 16/4885RAB9A 4042/4885SMN1; SMN2 2243/4885
US-20090306057-A1 [1,2,4]THIADIAZINE 1,1-DIOXIDE COMPOUNDS CYP2E1, CYP1A1, CYP1B1 ALDH1A1 85/4885RAB9A 4302/4885SMN1; SMN2 3269/4885

“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.