SCHEMBL2000688

SCHEMBL2000688

CC(C)N1C(=O)C(NCc2ccccc2)=C(c2ccccc2)S1(=O)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.40
KDM4E B2RXH2 2/20 0.40
PKM P14618 1/20 0.40
CASP3 P42574 3/20 0.38
GAA P10253 1/20 0.38
FBP1 P09467 1/20 0.38
MAPT P10636 4/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
SLC1A2 P43004 1/20 0.36
HSD17B10 Q99714 2/20 0.36
PDE9A O76083 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HPGD P15428 1/20 0.36
ADRA2A P08913 1/20 0.36
F2 P00734 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL2000053 0.80 NR1H2 (0.39) L3MBTL1KDM4EPKMFBP1MAPT
SCHEMBL1996165 0.79 GSK3B (0.43) KDM4EGAATDP1SMN1; SMN2F2
SCHEMBL1998121 0.78 CA12 (0.48) L3MBTL1CASP3GAAHPGDADRA2A
SCHEMBL2000989 0.77 CNR1 (0.38) MAPTCYP1A2CYP2D6CYP2C19HSD17B10
SCHEMBL2003485 0.75 SMN1; SMN2 (0.54) L3MBTL1KDM4EGAAMAPTHSD17B10
SCHEMBL2001283 0.75 KDM4E (0.37) KDM4EGAAMAPTCYP1A2CYP2D6
SCHEMBL2000128 0.74 HRH3 (0.40) L3MBTL1CASP3FBP1MAPTPDE9A
SCHEMBL2001383 0.74 NOS3 (0.36) L3MBTL1GAASMN1; SMN2F2MEN1
SCHEMBL2004430 0.73 KDM4E (0.36) L3MBTL1KDM4EGAAHPGDTSHR
SCHEMBL2000248 0.72 KDM4E (0.33) KDM4EPKMCASP3MAPTTDP1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090005353-A1 Non-Anilinic Derivatives of Isothiazol-3(2H)-one 1,1-Dioxides as Liver X Receptor Modulators ASTRAZENECA AB (SE) 2009-01-01 US claimed
US-11648220-B2 Methods for the treatment of myeloid derived suppressor cells related disorders THE ROCKEFELLER UNIVERSITY (US) 2023-05-16 US disclosed
US-20190029984-A1 METHODS FOR THE TREATMENT OF MYELOID DERIVED SUPPRESSOR CELLS RELATED DISORDERS THE ROCKEFELLER UNIVERSITY (US) 2019-01-31 US disclosed
US-7960380-B2 Non-anilinic derivatives of isothiazol-3(2H)-one 1,1-dioxides as liver X receptor modulators ASTRAZENECA AB (SE) 2011-06-14 US disclosed
US-20100227847-A1 Non-Anilinic Derivatives Of Isothiazol-3(2H)-one 1,1-Dioxides As Liver X Receptor Modulators ASTRAZENECA AB (SE) 2010-09-09 US disclosed
US-7723333-B2 Non-anilinic derivatives of isothiazol-3(2H)-one 1,1-dioxides as liver X receptor modulators ASTRAZENECA AB (SE) 2010-05-25 US disclosed
US-20090005353-A1 Non-Anilinic Derivatives of Isothiazol-3(2H)-one 1,1-Dioxides as Liver X Receptor Modulators ASTRAZENECA AB (SE) 2009-01-01 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 (4 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-20090005353-A1 Non-Anilinic Derivatives of Isothiazol-3(2H)-one 1,1-Dioxides as Liver X Receptor Modulators NR1H2, NR1H3, NR1I2 L3MBTL1 4543/4885KDM4E 4359/4885PKM 1843/4885
US-11648220-B2 Methods for the treatment of myeloid derived suppressor cells related disorders NR1H3, NR1H2, MCL1 L3MBTL1 1467/4885KDM4E 1602/4885PKM 3017/4885
US-20190029984-A1 METHODS FOR THE TREATMENT OF MYELOID DERIVED SUPPRESSOR CELLS RELATED DISORDERS NR1H3, NR1H2, MCL1 L3MBTL1 1467/4885KDM4E 1602/4885PKM 3017/4885
US-20100227847-A1 Non-Anilinic Derivatives Of Isothiazol-3(2H)-one 1,1-Dioxides As Liver X Receptor Modulators NR1H2, NR1H3, NR1I2 L3MBTL1 4543/4885KDM4E 4359/4885PKM 1843/4885

“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.