SCHEMBL3487932

SCHEMBL3487932

COc1ccc(NC2=C(c3ccccc3)S(=O)(=O)N(C(C)(C)C)C2=O)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 5/20 0.65
NR1H3 Q13133 5/20 0.65
MAPT P10636 7/20 0.45
MAPK1 P28482 3/20 0.45
ALDH1A1 P00352 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
KDM4E B2RXH2 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
NSD2 O96028 1/20 0.45
LMNA P02545 1/20 0.45
POLB P06746 1/20 0.45
HPGD P15428 1/20 0.45
HTT P42858 1/20 0.45
RAB9A P51151 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
ALOX12 P18054 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
GSK3B P49841 2/20 0.41

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
SCHEMBL3488247 0.87 NR1H2 (0.62) NR1H2NR1H3MAPTMAPK1ALDH1A1
SCHEMBL3487317 0.85 NR1H2 (0.60) NR1H2NR1H3ALDH1A1SMN1; SMN2HPGD
SCHEMBL3488448 0.85 NR1H2 (0.68) NR1H2NR1H3MAPTMAPK1ALDH1A1
SCHEMBL3487220 0.84 NR1H2 (0.59) NR1H2NR1H3MAPTMAPK1ALDH1A1
SCHEMBL3488864 0.83 NR1H2 (0.65) NR1H2NR1H3MAPTMAPK1ALDH1A1
SCHEMBL1999973 0.81 NR1H2 (0.45) NR1H2NR1H3MAPTALDH1A1SMN1; SMN2
SCHEMBL1996986 0.80 NR1H2 (0.45) NR1H2NR1H3MAPK1ALDH1A1SMN1; SMN2
SCHEMBL3487794 0.80 NR1H2 (0.98) NR1H2NR1H3MAPTMAPK1ALDH1A1
SCHEMBL3487778 0.79 NR1H2 (1.00) NR1H2NR1H3MAPTMAPK1ALDH1A1
SCHEMBL3487077 0.79 NR1H2 (1.00) NR1H2NR1H3MAPTMAPK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100016321-A1 DERIVATIVES OF ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATOR ASTRAZENECA AB (SE) 2010-01-21 US claimed
US-7582629-B2 Derivatives of isothiazol-3(2H)-one 1,1-dioxides as liver X receptor modulators ASTRAZENECA AB (SE) 2009-09-01 US claimed
US-20080255122-A1 Derivatives of Isothiazol-3(2H)-One 1,1-Dioxides as Liver X Receptor Modulators ASTRAZENECA AB (SE) 2008-10-16 US claimed
US-20100016321-A1 DERIVATIVES OF ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATOR ASTRAZENECA AB (SE) 2010-01-21 US disclosed
US-7582629-B2 Derivatives of isothiazol-3(2H)-one 1,1-dioxides as liver X receptor modulators ASTRAZENECA AB (SE) 2009-09-01 US disclosed
US-20080255122-A1 Derivatives of Isothiazol-3(2H)-One 1,1-Dioxides as Liver X Receptor Modulators ASTRAZENECA AB (SE) 2008-10-16 US disclosed
EP-1838686-A1 DERIVATIVES OF ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATORS AstraZeneca AB (SE) 2007-10-03 EP disclosed
WO-2006073363-A1 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-20100016321-A1 DERIVATIVES OF ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATOR NR1H2, NR1H3, NR1I2 NR1H2 1/4885NR1H3 2/4885MAPT 1882/4885
US-20080255122-A1 Derivatives of Isothiazol-3(2H)-One 1,1-Dioxides as Liver X Receptor Modulators NR1H2, NR1H3, NR1I2 NR1H2 1/4885NR1H3 2/4885MAPT 1938/4885

“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.