SCHEMBL3487663

SCHEMBL3487663

CC(=O)c1cc2cc(NC3=C(c4ccccc4)S(=O)(=O)N(C)C3=O)ccc2o1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.41
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 3/20 0.41
HPGD P15428 2/20 0.41
LMNA P02545 1/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
CASP1 P29466 1/20 0.41
BRCA1 P38398 1/20 0.41
CASP7 P55210 1/20 0.41
HSD17B10 Q99714 1/20 0.41
SYK P43405 2/20 0.38
IKBKB O14920 1/20 0.38
RAB9A P51151 8/20 0.37
NPC1 O15118 7/20 0.37
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
P2RX3 P56373 1/20 0.35

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
SCHEMBL3487918 0.87 SMN1; SMN2 (0.38) SMN1; SMN2ALDH1A1KDM4EHPGDLMNA
SCHEMBL3487585 0.86 SMN1; SMN2 (0.36) SMN1; SMN2ALDH1A1KDM4EHPGDLMNA
SCHEMBL4478931 0.84 ASAH1 (0.35) SMN1; SMN2ALDH1A1KDM4EHPGDLMNA
SCHEMBL3486895 0.80 SMN1; SMN2 (0.38) SMN1; SMN2ALDH1A1HPGDLMNASYK
SCHEMBL3486990 0.77 SYK (0.44) SMN1; SMN2ALDH1A1HPGDLMNASYK
SCHEMBL3488388 0.75 SMN1; SMN2 (0.35) SMN1; SMN2HSD17B10SYKRAB9ANPC1
SCHEMBL4692190 0.74 NR1H2 (0.45) SMN1; SMN2ALDH1A1KDM4EHPGDLMNA
SCHEMBL5606136 0.73 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1KDM4EHPGDLMNA
SCHEMBL3486901 0.73 SMN1; SMN2 (0.38) SMN1; SMN2ALDH1A1KDM4EHPGDLMNA
SCHEMBL3487194 0.71 NR1H2 (0.47) SMN1; SMN2ALDH1A1KDM4EHPGDLMNA

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 SMN1; SMN2 4234/4885ALDH1A1 1872/4885KDM4E 4430/4885
US-20080255122-A1 Derivatives of Isothiazol-3(2H)-One 1,1-Dioxides as Liver X Receptor Modulators NR1H2, NR1H3, NR1I2 SMN1; SMN2 4232/4885ALDH1A1 1892/4885KDM4E 4498/4885

“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.