SCHEMBL3487898

SCHEMBL3487898

CCCCN1C(=O)C(Nc2ccc(OC(F)F)cc2)=C(c2cccc(Cl)c2)S1(=O)=O

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 5/20 0.35
CA12 O43570 2/20 0.35
CA9 Q16790 2/20 0.35
NR1H2 P55055 3/20 0.34
NR1H3 Q13133 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
MAPT P10636 2/20 0.34
BACE1 P56817 2/20 0.34
KMT2A Q03164 2/20 0.33
USP2 O75604 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GSK3B P49841 1/20 0.32

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
SCHEMBL5322871 0.89 MAPT (0.40) P2RX3CA12CA9NR1H2NR1H3
SCHEMBL3487340 0.89 P2RX3 (0.41) P2RX3CA12CA9NR1H2NR1H3
SCHEMBL3488288 0.88 CA12 (0.41) CA12CA9NR1H2NR1H3SMN1; SMN2
SCHEMBL5606877 0.85 NR1H2 (0.38) P2RX3NR1H2NR1H3SMN1; SMN2MAPT
SCHEMBL5613963 0.80 NR1H2 (0.36) P2RX3NR1H2NR1H3SMN1; SMN2MAPT
SCHEMBL4217757 0.79 LMNA (0.39) CA12CA9NR1H2NR1H3SMN1; SMN2
SCHEMBL3487302 0.79 NR1H2 (0.43) NR1H2NR1H3SMN1; SMN2MAPTKMT2A
SCHEMBL5614095 0.77 MAPT (0.52) CA12CA9NR1H2NR1H3SMN1; SMN2
SCHEMBL3487831 0.77 NR1H2 (0.41) NR1H2NR1H3SMN1; SMN2MAPTKMT2A
SCHEMBL1997883 0.76 CA12 (0.39) CA12CA9SMN1; SMN2MAPTBACE1

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
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

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 P2RX3 2469/4885CA12 4625/4885CA9 4266/4885
US-20080255122-A1 Derivatives of Isothiazol-3(2H)-One 1,1-Dioxides as Liver X Receptor Modulators NR1H2, NR1H3, NR1I2 P2RX3 2247/4885CA12 4576/4885CA9 4222/4885

“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.