SCHEMBL3487073

SCHEMBL3487073

CCCCN1C(=O)C(Nc2ccc(OCc3ccccc3)cc2)=C(c2ccccc2)S1(=O)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.47
NR1H2 P55055 2/20 0.42
NR1H3 Q13133 2/20 0.42
SMN1; SMN2 Q16637 4/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 4/20 0.41
NPC1 O15118 2/20 0.41
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
HPGD P15428 1/20 0.41
ALDH1A1 P00352 3/20 0.40
ADAMTS5 Q9UNA0 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.39
CHEK2 O96017 1/20 0.39
EGFR P00533 1/20 0.39
ERBB2 P04626 1/20 0.39
ROS1 P08922 1/20 0.39
FLT3 P36888 1/20 0.39
ERBB4 Q15303 1/20 0.39
AURKB Q96GD4 1/20 0.39

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
SCHEMBL5613981 0.88 POLB (0.47) NR1H2NR1H3SMN1; SMN2MAPTRAB9A
SCHEMBL3488399 0.87 NR1H2 (0.55) NR1H2NR1H3SMN1; SMN2MAPTRAB9A
SCHEMBL3487448 0.85 CA12 (0.46) NR1H2NR1H3SMN1; SMN2MAPTRAB9A
SCHEMBL3486726 0.83 CA12 (0.41) NR1H2NR1H3SMN1; SMN2MAPTCA12
SCHEMBL3488288 0.83 CA12 (0.41) NR1H2NR1H3SMN1; SMN2MAPTNPC1
SCHEMBL3488251 0.83 CA12 (0.44) NR1H2NR1H3SMN1; SMN2MAPTCA12
SCHEMBL5614095 0.82 MAPT (0.52) NR1H2NR1H3SMN1; SMN2MAPTNPC1
SCHEMBL3487317 0.81 NR1H2 (0.60) ARNR1H2NR1H3SMN1; SMN2RAB9A
SCHEMBL5607277 0.80 CHRM4 (0.43) NR1H2NR1H3SMN1; SMN2MAPTRAB9A
SCHEMBL5322871 0.79 MAPT (0.40) NR1H2NR1H3SMN1; SMN2MAPTCA12

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 AR 436/4885NR1H2 1/4885NR1H3 2/4885
US-20080255122-A1 Derivatives of Isothiazol-3(2H)-One 1,1-Dioxides as Liver X Receptor Modulators NR1H2, NR1H3, NR1I2 AR 397/4885NR1H2 1/4885NR1H3 2/4885

“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.