SCHEMBL3489093

SCHEMBL3489093

CCCCN1C(=O)C(Nc2ccc(S(=O)(=O)NC(C)=O)cc2)=C(c2ccccc2)S1(=O)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
SCN3A Q9NY46 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
CA9 Q16790 2/20 0.39
CA12 O43570 1/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 1/20 0.39
HSP90AA1 P07900 1/20 0.39
PTGS2 P35354 1/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
GFER P55789 1/20 0.38
KMT2A Q03164 1/20 0.38
PKM P14618 1/20 0.38
HTT P42858 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
GHSR Q92847 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL3489097 0.91 KDM4E (0.41) KDM4EL3MBTL1SCN3ASMN1; SMN2CA9
SCHEMBL4466722 0.84 MAPT (0.36) KDM4ESMN1; SMN2MAPTMEN1KMT2A
SCHEMBL3487448 0.82 CA12 (0.46) KDM4EL3MBTL1SMN1; SMN2CA9CA12
SCHEMBL3488251 0.80 CA12 (0.44) SMN1; SMN2CA9CA12ALDH1A1MAPT
SCHEMBL3488399 0.78 NR1H2 (0.55) KDM4EL3MBTL1SMN1; SMN2CA9CA12
SCHEMBL4466726 0.77 MAPT (0.36) KDM4ESMN1; SMN2MAPTMEN1KMT2A
SCHEMBL3488288 0.75 CA12 (0.41) SMN1; SMN2CA9CA12ALDH1A1MAPT
SCHEMBL3486726 0.75 CA12 (0.41) SMN1; SMN2CA9CA12MAPTGAA
SCHEMBL3487073 0.75 AR (0.47) SMN1; SMN2CA9CA12ALDH1A1MAPT
SCHEMBL3487929 0.75 ALDH1A1 (0.46) KDM4EL3MBTL1SMN1; SMN2CA9CA12

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 KDM4E 4430/4885L3MBTL1 4525/4885SCN3A 2545/4885
US-20080255122-A1 Derivatives of Isothiazol-3(2H)-One 1,1-Dioxides as Liver X Receptor Modulators NR1H2, NR1H3, NR1I2 KDM4E 4498/4885L3MBTL1 4564/4885SCN3A 2551/4885

“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.