SCHEMBL2004349

SCHEMBL2004349

CC(C)(C)N1C(=O)C(NC2CCN(C(=O)O)CC2)=C(c2ccccc2)S1(O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.40
NR1H3 Q13133 1/20 0.40
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
LMNA P02545 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
USP30 Q70CQ3 2/20 0.34
CCR5 P51681 1/20 0.34
MAPT P10636 2/20 0.33
POLB P06746 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CASP3 P42574 1/20 0.33
EPHX1 P07099 1/20 0.33
ALDH1A1 P00352 3/20 0.33
NOS2 P35228 1/20 0.33
TSHR P16473 1/20 0.32
NPC1 O15118 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 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
SCHEMBL2004351 0.89 NR1H2 (0.52) NR1H2NR1H3BCHEACHELMNA
SCHEMBL2001032 0.89 ALDH1A1 (0.47) MEN1KMT2AUSP30MAPTALDH1A1
SCHEMBL17844213 0.86 NR1H2 (0.37) NR1H2NR1H3BCHEACHE
SCHEMBL1999761 0.84 NOS1 (0.45) LMNAMEN1KMT2APOLBALDH1A1
SCHEMBL1995400 0.82 NR1H2 (0.51) NR1H2NR1H3BCHEACHELMNA
SCHEMBL1999995 0.80 NR1H2 (0.49) NR1H2NR1H3ACHELMNAMEN1
SCHEMBL1998440 0.79 NR1H2 (0.48) NR1H2NR1H3BCHEACHELMNA
SCHEMBL2001035 0.79 NR1H2 (0.48) NR1H2NR1H3USP30MAPTALDH1A1
SCHEMBL2003819 0.78 BCHE (0.47) BCHEACHE
SCHEMBL1999147 0.78 NR1H2 (0.47) NR1H2NR1H3BCHEACHELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7960380-B2 Non-anilinic derivatives of isothiazol-3(2H)-one 1,1-dioxides as liver X receptor modulators ASTRAZENECA AB (SE) 2011-06-14 US disclosed
US-20100227847-A1 Non-Anilinic Derivatives Of Isothiazol-3(2H)-one 1,1-Dioxides As Liver X Receptor Modulators ASTRAZENECA AB (SE) 2010-09-09 US disclosed
US-7723333-B2 Non-anilinic derivatives of isothiazol-3(2H)-one 1,1-dioxides as liver X receptor modulators ASTRAZENECA AB (SE) 2010-05-25 US disclosed
US-20090005353-A1 Non-Anilinic Derivatives of Isothiazol-3(2H)-one 1,1-Dioxides as Liver X Receptor Modulators ASTRAZENECA AB (SE) 2009-01-01 US disclosed
EP-1838687-A1 NON-ANILINIC DERIVATIVES OF ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATORS AstraZeneca AB (SE) 2007-10-03 EP disclosed
WO-2006073366-A1 NON-ANILINIC DERIVATIVES OF ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2006-07-13 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 (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-20090005353-A1 Non-Anilinic Derivatives of Isothiazol-3(2H)-one 1,1-Dioxides as Liver X Receptor Modulators NR1H2, NR1H3, NR1I2 NR1H2 1/4885NR1H3 2/4885BCHE 1449/4885
US-20100227847-A1 Non-Anilinic Derivatives Of Isothiazol-3(2H)-one 1,1-Dioxides As Liver X Receptor Modulators NR1H2, NR1H3, NR1I2 NR1H2 1/4885NR1H3 2/4885BCHE 1449/4885

“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.