SCHEMBL1998235

SCHEMBL1998235

CC(C)(C)N1C(=O)C(NCCCCl)=C(c2ccccc2)S1(=O)=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.51
NR1H3 Q13133 1/20 0.51
CA12 O43570 2/20 0.40
CA9 Q16790 2/20 0.40
CA2 P00918 1/20 0.40
MAPT P10636 5/20 0.32
CDC25A P30304 3/20 0.32
MAPK1 P28482 3/20 0.32
NPSR1 Q6W5P4 3/20 0.32
CDC25B P30305 2/20 0.32
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
NSD2 O96028 2/20 0.30
TDP1 Q9NUW8 2/20 0.30
APAF1 O14727 1/20 0.30
NPC1 O15118 1/20 0.30
MITF O75030 1/20 0.30
RAB9A P51151 1/20 0.30
KDM4E B2RXH2 1/20 0.30
HSP90AA1 P07900 1/20 0.30

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
SCHEMBL1999665 0.88 NR1H2 (0.51) NR1H2NR1H3CA12CA9CA2
SCHEMBL2000304 0.87 NR1H2 (0.48) NR1H2NR1H3CA12CA9CA2
SCHEMBL2002953 0.86 NR1H2 (0.47) NR1H2NR1H3CA12CA9CA2
SCHEMBL2001548 0.86 NR1H2 (0.49) NR1H2NR1H3CA12CA9CA2
SCHEMBL2005976 0.85 NR1H2 (0.53) NR1H2NR1H3CA12CA9CA2
SCHEMBL2000920 0.85 NR1H2 (0.45) NR1H2NR1H3MAPTMAPK1NPSR1
SCHEMBL1999959 0.84 NR1H2 (0.47) NR1H2NR1H3CA12CA9CA2
SCHEMBL2000018 0.83 NR1H2 (0.45) NR1H2NR1H3CA12CA9CA2
SCHEMBL1999973 0.83 NR1H2 (0.45) NR1H2NR1H3MAPTNPSR1RAB9A
SCHEMBL1999743 0.83 NR1H2 (0.56) NR1H2NR1H3CA12CA9CA2

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 2/4885CA12 4594/4885
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 2/4885CA12 4594/4885

“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.