SCHEMBL2000799

SCHEMBL2000799

Cc1onc(-c2ccccc2)c1CNC1=C(c2ccccc2)S(=O)(=O)N(C(C)(C)C)C1=O

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.50
GABRA5 P31644 5/20 0.49
ALDH1A1 P00352 10/20 0.47
NPSR1 Q6W5P4 1/20 0.47
NR1H2 P55055 1/20 0.45
NR1H3 Q13133 1/20 0.45
PKM P14618 3/20 0.44
MAPT P10636 2/20 0.44
PLA2G1B P04054 1/20 0.42
ATG4B Q9Y4P1 1/20 0.42
THRB P10828 1/20 0.41
ENPP2 Q13822 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL19127967 0.83 KDM4E (0.48) KDM4EGABRA5ALDH1A1NPSR1PKM
SCHEMBL2000982 0.81 NR1H2 (0.48) KDM4EGABRA5NR1H2NR1H3MAPT
SCHEMBL2004692 0.80 NR1H2 (0.54) NPSR1NR1H2NR1H3MAPTTDP1
SCHEMBL1999743 0.77 NR1H2 (0.56) ALDH1A1NR1H2NR1H3MAPTTDP1
SCHEMBL1998407 0.76 NR1H2 (0.55) ALDH1A1NR1H2NR1H3
SCHEMBL3504127 0.76 NR1H2 (0.55) NR1H2NR1H3
SCHEMBL2000502 0.74 NR1H2 (0.58) NR1H2NR1H3
SCHEMBL2003178 0.74 NR1H2 (0.53) KDM4EALDH1A1NR1H2NR1H3MAPT
SCHEMBL2000315 0.74 NR1H2 (0.53) NR1H2NR1H3
SCHEMBL2001656 0.74 NR1H2 (0.53) KDM4EALDH1A1NR1H2NR1H3MAPT

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-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 claimed
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-20230338314-A1 METHODS FOR THE TREATMENT OF MYELOID DERIVED SUPPRESSOR CELLS RELATED DISORDERS THE ROCKEFELLER UNIVERSITY (US) 2023-10-26 US disclosed
US-11648220-B2 Methods for the treatment of myeloid derived suppressor cells related disorders THE ROCKEFELLER UNIVERSITY (US) 2023-05-16 US disclosed
US-20190125745-A1 TREATMENT AND DIAGNOSIS OF CANCER RGENIX, INC. 2019-05-02 US disclosed
WO-2018222975-A1 METHODS FOR THE TREATMENT OF CANCER RGENIX, INC. (US) 2018-12-06 WO 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 (5 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 KDM4E 4359/4885GABRA5 1930/4885ALDH1A1 2568/4885
US-11648220-B2 Methods for the treatment of myeloid derived suppressor cells related disorders NR1H3, NR1H2, MCL1 KDM4E 1602/4885GABRA5 1632/4885ALDH1A1 1591/4885
US-20230338314-A1 METHODS FOR THE TREATMENT OF MYELOID DERIVED SUPPRESSOR CELLS RELATED DISORDERS NR1H3, NR1H2, MCL1 KDM4E 1602/4885GABRA5 1632/4885ALDH1A1 1591/4885
US-20190125745-A1 TREATMENT AND DIAGNOSIS OF CANCER NR1H4, NR1H3, NR1H2 KDM4E 2159/4885GABRA5 651/4885ALDH1A1 595/4885
US-20100227847-A1 Non-Anilinic Derivatives Of Isothiazol-3(2H)-one 1,1-Dioxides As Liver X Receptor Modulators NR1H2, NR1H3, NR1I2 KDM4E 4359/4885GABRA5 1930/4885ALDH1A1 2568/4885

“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.