SCHEMBL3487133

SCHEMBL3487133

CCCCN1C(=O)C(Nc2cc(C)n(-c3ccccc3)n2)=C(c2ccccc2)S1(=O)=O

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.40
CA9 Q16790 2/20 0.40
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
MYC P01106 1/20 0.36
WDR5 P61964 1/20 0.36
RIPK1 Q13546 5/20 0.36
SOAT2 O75908 6/20 0.35
SOAT1 P35610 6/20 0.35
NR1H3 Q13133 2/20 0.35
MAPK1 P28482 1/20 0.35
GAA P10253 1/20 0.34
NR1H2 P55055 1/20 0.34

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
SCHEMBL3487448 0.76 CA12 (0.46) CA12CA9NR1H3MAPK1GAA
SCHEMBL3487929 0.73 ALDH1A1 (0.46) CA12CA9NR1H3MAPK1GAA
SCHEMBL3487497 0.73 CA12 (0.40) CA12CA9NR1H3GAANR1H2
SCHEMBL3488399 0.72 NR1H2 (0.55) CA12CA9NR1H3MAPK1NR1H2
SCHEMBL3488251 0.72 CA12 (0.44) CA12CA9NR1H3GAANR1H2
SCHEMBL3488779 0.72 CA12 (0.42) CA12CA9NR1H3GAANR1H2
SCHEMBL2003890 0.72 CA12 (0.48) CA12CA9SOAT2SOAT1GAA
SCHEMBL1998121 0.72 CA12 (0.48) CA12CA9CNR1CNR2GAA
SCHEMBL3488028 0.71 CA12 (0.44) CA12CA9NR1H3MAPK1GAA
SCHEMBL3489093 0.71 KDM4E (0.42) CA12CA9GAA

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 10 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
EP-1838686-A1 DERIVATIVES OF ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATORS AstraZeneca AB (SE) 2007-10-03 EP claimed
WO-2006073363-A1 DERIVATIVES OF ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2006-07-13 WO 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 CA12 4625/4885CA9 4266/4885CNR1 346/4885
US-20080255122-A1 Derivatives of Isothiazol-3(2H)-One 1,1-Dioxides as Liver X Receptor Modulators NR1H2, NR1H3, NR1I2 CA12 4576/4885CA9 4222/4885CNR1 299/4885

“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.