SCHEMBL2000911

SCHEMBL2000911

CC(C)(C)N1C(=O)C(NCCc2ccc(OS(C)(=O)=O)cc2)=C(c2ccccc2)S1(O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.35
MAPT P10636 3/20 0.35
HTR1A P08908 1/20 0.34
DRD2 P14416 1/20 0.34
NSD2 O96028 1/20 0.34
HSP90AA1 P07900 1/20 0.34
G6PD P11413 1/20 0.34
CCR6 P51684 1/20 0.34
HKDC1 Q2TB90 1/20 0.34
TLR9 Q9NR96 1/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA12 O43570 1/20 0.34
CA9 Q16790 1/20 0.34
ALDH1A1 P00352 4/20 0.33
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
POLB P06746 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL2000912 0.89 NR1H2 (0.43) KDM4EMAPTHTR1ADRD2NSD2
SCHEMBL2004216 0.89 MEN1 (0.36) KDM4EMAPTALDH1A1NR1H2NR1H3
SCHEMBL2001873 0.85 PPARA (0.35) KDM4EMAPTHTR1ADRD2NSD2
SCHEMBL1997404 0.84 MEN1 (0.47) CA1CA2CA12CA9ALDH1A1
SCHEMBL2000240 0.84 KDM4E (0.34) KDM4EMAPTHTR1ADRD2NSD2
SCHEMBL2000498 0.83 PPARA (0.33) KDM4EMAPTHTR1ADRD2NSD2
SCHEMBL5308618 0.82 NR1H2 (0.36) KDM4EMAPTNSD2HSP90AA1G6PD
SCHEMBL1999819 0.81 ALDH1A1 (0.37) KDM4EMAPTALDH1A1NPSR1APAF1
SCHEMBL2001465 0.81 ABCB1 (0.39) KDM4EMAPTNSD2HSP90AA1G6PD
SCHEMBL1999834 0.81 NR1H2 (0.33) KDM4EALDH1A1NR1H2NR1H3MEN1

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 14 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
US-20190029984-A1 METHODS FOR THE TREATMENT OF MYELOID DERIVED SUPPRESSOR CELLS RELATED DISORDERS THE ROCKEFELLER UNIVERSITY (US) 2019-01-31 US disclosed
WO-2018222975-A1 METHODS FOR THE TREATMENT OF CANCER RGENIX, INC. (US) 2018-12-06 WO disclosed
EP-3402477-A2 METHODS FOR THE TREATMENT OF MYELOID DERIVED SUPPRESSOR CELLS RELATED DISORDERS The Rockefeller University (US) 2018-11-21 EP disclosed
WO-2017123568-A2 METHODS FOR THE TREATMENT OF MYELOID DERIVED SUPPRESSOR CELLS RELATED DISORDERS THE ROCKEFELLER UNIVERSITY (US) 2017-07-20 WO disclosed
WO-2016100619-A2 TREATMENT AND DIAGNOSIS OF CANCER RGENIX, INC. (US) 2016-06-23 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 (6 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 4359/4885MAPT 2119/4885HTR1A 2584/4885
US-11648220-B2 Methods for the treatment of myeloid derived suppressor cells related disorders NR1H3, NR1H2, MCL1 KDM4E 1602/4885MAPT 3623/4885HTR1A 4605/4885
US-20230338314-A1 METHODS FOR THE TREATMENT OF MYELOID DERIVED SUPPRESSOR CELLS RELATED DISORDERS NR1H3, NR1H2, MCL1 KDM4E 1602/4885MAPT 3623/4885HTR1A 4605/4885
US-20190029984-A1 METHODS FOR THE TREATMENT OF MYELOID DERIVED SUPPRESSOR CELLS RELATED DISORDERS NR1H3, NR1H2, MCL1 KDM4E 1602/4885MAPT 3623/4885HTR1A 4605/4885
US-20190125745-A1 TREATMENT AND DIAGNOSIS OF CANCER NR1H4, NR1H3, NR1H2 KDM4E 2159/4885MAPT 4774/4885HTR1A 1179/4885
US-20100227847-A1 Non-Anilinic Derivatives Of Isothiazol-3(2H)-one 1,1-Dioxides As Liver X Receptor Modulators NR1H2, NR1H3, NR1I2 KDM4E 4359/4885MAPT 2119/4885HTR1A 2584/4885

“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.