SCHEMBL3488021

SCHEMBL3488021

CCCCN1C(=O)C(Nc2nc3ccccc3[nH]2)=C(c2ccccc2)S1(=O)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.46
TRPC3 Q13507 1/20 0.46
TRPC4 Q9UBN4 1/20 0.46
TRPC5 Q9UL62 1/20 0.46
SMN1; SMN2 Q16637 6/20 0.44
HTT P42858 5/20 0.44
MAPT P10636 5/20 0.44
RAB9A P51151 4/20 0.44
KDM4E B2RXH2 4/20 0.44
LMNA P02545 3/20 0.44
NPSR1 Q6W5P4 3/20 0.44
KMT2A Q03164 3/20 0.44
TDP1 Q9NUW8 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
MEN1 O00255 2/20 0.44
USP2 O75604 1/20 0.44
ALOX15 P16050 1/20 0.44
ALDH1A1 P00352 4/20 0.43
NPC1 O15118 3/20 0.43
SPHK2 Q9NRA0 1/20 0.43

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
SCHEMBL5613964 0.79 NPC1 (0.35) SMN1; SMN2HTTRAB9AKDM4ELMNA
SCHEMBL3488779 0.75 CA12 (0.42) SMN1; SMN2MAPTRAB9AKDM4ENPSR1
SCHEMBL3487448 0.75 CA12 (0.46) SMN1; SMN2MAPTRAB9AKDM4ELMNA
SCHEMBL3488115 0.75 EPHX1 (0.43) MAPTRAB9ANPC1CA12CA9
SCHEMBL3487929 0.74 ALDH1A1 (0.46) SMN1; SMN2HTTMAPTKDM4ELMNA
SCHEMBL3488251 0.73 CA12 (0.44) SMN1; SMN2HTTMAPTKMT2AALDH1A1
SCHEMBL3488399 0.73 NR1H2 (0.55) SMN1; SMN2HTTMAPTRAB9AKDM4E
SCHEMBL3487923 0.73 PSMB8 (0.41) SMN1; SMN2MAPTRAB9AKDM4ELMNA
SCHEMBL2003890 0.72 CA12 (0.48) HTTALDH1A1CA12CA9GAA
SCHEMBL1998121 0.72 CA12 (0.48) L3MBTL1ALDH1A1CA12CA9POLB

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 BCHE 1357/4885TRPC3 2587/4885TRPC4 4164/4885
US-20080255122-A1 Derivatives of Isothiazol-3(2H)-One 1,1-Dioxides as Liver X Receptor Modulators NR1H2, NR1H3, NR1I2 BCHE 1253/4885TRPC3 2605/4885TRPC4 4180/4885

“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.