SCHEMBL3487929

SCHEMBL3487929

CCCCN1C(=O)C(Nc2ccccc2O)=C(c2ccccc2)S1(=O)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.46
MAPT P10636 7/20 0.46
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
HPGD P15428 4/20 0.46
PKM P14618 2/20 0.46
RECQL P46063 1/20 0.46
CA12 O43570 3/20 0.45
CA9 Q16790 3/20 0.45
GAA P10253 8/20 0.43
KDM4E B2RXH2 4/20 0.43
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TDP1 Q9NUW8 1/20 0.40
HTT P42858 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
MAPK1 P28482 1/20 0.37
MCL1 Q07820 1/20 0.37
NR1H2 P55055 2/20 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
SCHEMBL3487448 0.85 CA12 (0.46) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL3488251 0.81 CA12 (0.44) ALDH1A1MAPTKMT2ACA12CA9
SCHEMBL2001113 0.79 CA12 (0.55) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL3488399 0.78 NR1H2 (0.55) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL19128463 0.78 CA12 (0.46) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL2003890 0.77 CA12 (0.48) ALDH1A1CA12CA9GAAHTT
SCHEMBL1998121 0.77 CA12 (0.48) ALDH1A1HPGDCA12CA9GAA
SCHEMBL3488779 0.76 CA12 (0.42) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL2001723 0.75 KDM4E (0.46) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL3488028 0.75 CA12 (0.44) ALDH1A1MAPTMEN1KMT2AHPGD

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 5 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 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 1872/4885MAPT 1882/4885MEN1 4167/4885
US-20080255122-A1 Derivatives of Isothiazol-3(2H)-One 1,1-Dioxides as Liver X Receptor Modulators NR1H2, NR1H3, NR1I2 ALDH1A1 1892/4885MAPT 1938/4885MEN1 4112/4885

“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.