SCHEMBL3487675

SCHEMBL3487675

CCOC(=O)c1sc2cc[c]cc2c1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.46
KMT2A Q03164 4/20 0.46
LMNA P02545 2/20 0.46
MEN1 O00255 2/20 0.44
NOD2 Q9HC29 1/20 0.44
MAPT P10636 8/20 0.43
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
KDM4E B2RXH2 4/20 0.43
HPGD P15428 3/20 0.43
GAA P10253 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TSHR P16473 2/20 0.41
GLA P06280 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPK1 P28482 1/20 0.41
TP53 P04637 2/20 0.41
RXFP1 Q9HBX9 1/20 0.41
CYP1A2 P05177 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
SCHEMBL3483195 0.80 GPR35 (0.50) NPSR1MAPK1RXFP1
SCHEMBL29513035 0.79 ALDH1A1 (0.64) ALDH1A1KMT2ALMNAMEN1NOD2
SCHEMBL9025206 0.79 ALDH1A1 (0.64) ALDH1A1KMT2ALMNAMEN1NOD2
SCHEMBL20893397 0.77 ALDH1A1 (0.52) ALDH1A1KMT2ALMNAMEN1NOD2
SCHEMBL14691616 0.75 CA12 (0.53) ALDH1A1KMT2ALMNAMEN1NOD2
SCHEMBL6659125 0.74 MAPT (0.49) ALDH1A1KMT2ALMNAMEN1NOD2
SCHEMBL14691163 0.74 MAPT (0.58) ALDH1A1KMT2ALMNAMEN1MAPT
SCHEMBL3488612 0.74 ALDH1A1 (0.51) ALDH1A1KMT2ALMNAMEN1NOD2
SCHEMBL31750868 0.74 CDC7 (0.49) ALDH1A1KMT2ALMNAMEN1NOD2
SCHEMBL716897 0.74 CDC7 (0.49) ALDH1A1KMT2ALMNAMEN1NOD2

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 ALDH1A1 1872/4885KMT2A 3077/4885LMNA 3519/4885
US-20080255122-A1 Derivatives of Isothiazol-3(2H)-One 1,1-Dioxides as Liver X Receptor Modulators NR1H2, NR1H3, NR1I2 ALDH1A1 1892/4885KMT2A 3198/4885LMNA 3647/4885

“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.