SCHEMBL335790

SCHEMBL335790

CC(C)(C)OC(=O)CS(=O)(=O)NCc1csc([N+](=O)[O-])c1SCc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.36
CA1 P00915 1/20 0.36
CA7 P43166 1/20 0.36
CA14 Q9ULX7 1/20 0.36
ITGA4 P13612 1/20 0.36
ITGB7 P26010 1/20 0.36
ALDH1A1 P00352 4/20 0.35
POLB P06746 3/20 0.35
MEN1 O00255 2/20 0.35
RAB9A P51151 2/20 0.35
KMT2A Q03164 2/20 0.35
HTT P42858 1/20 0.33
FFAR1 O14842 1/20 0.33
MAPK1 P28482 1/20 0.33
PPARG P37231 2/20 0.33
PPARA Q07869 2/20 0.33
MAPT P10636 6/20 0.33
TP53 P04637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
LMNA P02545 1/20 0.32

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
SCHEMBL4779987 0.81 ALDH1A1 (0.39) CA12CA1CA7ALDH1A1POLB
SCHEMBL335233 0.72 ALDH1A1 (0.45) CA12CA1CA7ALDH1A1POLB
SCHEMBL1799577 0.70 ALDH1A1 (0.45) ALDH1A1POLBMEN1RAB9AKMT2A
SCHEMBL1523252 0.70 PKM (0.47) ALDH1A1POLBMEN1RAB9AKMT2A
SCHEMBL4834129 0.68 ALDH1A1 (0.45) ALDH1A1POLBMEN1RAB9AKMT2A
SCHEMBL28018641 0.68 ALDH1A1 (0.45) ALDH1A1POLBMEN1RAB9AKMT2A
SCHEMBL17886203 0.68 ALDH1A1 (0.47) ALDH1A1POLBMEN1RAB9AKMT2A
SCHEMBL334730 0.67 ALDH1A1 (0.46) ALDH1A1POLBMEN1RAB9AKMT2A
SCHEMBL1799154 0.63 ALDH1A1 (0.44) ALDH1A1POLBMEN1RAB9AKMT2A
SCHEMBL10561195 0.63 PPARG (0.54) CA12CA1CA7CA14RAB9A

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 9 patents. 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
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
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-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
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

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 CA12 473/4885CA1 444/4885CA7 329/4885
US-20120316156-A1 [1,2,4]THIADIAZINE 1,1-DIOXIDE COMPOUNDS FOR LOWERING SERUM URIC ACID THOP1, XDH, DUOX1 CA12 1285/4885CA1 1252/4885CA7 1143/4885
US-20090306057-A1 [1,2,4]THIADIAZINE 1,1-DIOXIDE COMPOUNDS CYP2E1, CYP1A1, CYP1B1 CA12 2445/4885CA1 3677/4885CA7 2632/4885

“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.