SCHEMBL2005976

SCHEMBL2005976

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.53
NR1H3 Q13133 1/20 0.53
CA12 O43570 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
PDCD1 Q15116 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
TOP1 P11387 1/20 0.30
PRKD3 O94806 1/20 0.30
PRKCG P05129 1/20 0.30
PRKCB P05771 1/20 0.30
PRKCA P17252 1/20 0.30
PRKACA P17612 1/20 0.30
PRKACG P22612 1/20 0.30
PRKACB P22694 1/20 0.30
PRKCH P24723 1/20 0.30
PRKCI P41743 1/20 0.30
PRKCE Q02156 1/20 0.30
PRKCQ Q04759 1/20 0.30
PRKCZ Q05513 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
SCHEMBL1999743 0.85 NR1H2 (0.56) NR1H2NR1H3CA12CA2CA9
SCHEMBL1999665 0.85 NR1H2 (0.51) NR1H2NR1H3CA12CA2CA9
SCHEMBL1998235 0.85 NR1H2 (0.51) NR1H2NR1H3CA12CA2CA9
SCHEMBL1998407 0.84 NR1H2 (0.55) NR1H2NR1H3CA12CA2CA9
SCHEMBL3504127 0.84 NR1H2 (0.55) NR1H2NR1H3CA12CA2CA9
SCHEMBL2002996 0.84 NR1H2 (0.50) NR1H2NR1H3CA12CA2CA9
SCHEMBL2004692 0.83 NR1H2 (0.54) NR1H2NR1H3CA12CA2CA9
SCHEMBL2001548 0.83 NR1H2 (0.49) NR1H2NR1H3CA12CA2CA9
SCHEMBL2001237 0.82 NR1H2 (0.51) NR1H2NR1H3CA12CA2CA9
SCHEMBL2000114 0.82 NR1H2 (0.48) NR1H2NR1H3CA12CA2CA9

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 4 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

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.