SCHEMBL2000298

SCHEMBL2000298

CC(C)(C)N1C(=O)C(NCCCOc2cccc(C(=O)O)c2)=C(c2ccccc2)S1(O)O

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.43
NR1H4 Q96RI1 4/20 0.40
NR4A2 P43354 3/20 0.40
PLA2G4B P0C869 1/20 0.39
F10 P00742 1/20 0.39
MAOB P27338 1/20 0.39
ALDH1A1 P00352 2/20 0.39
POLB P06746 1/20 0.39
NR4A1 P22736 1/20 0.39
NR4A3 Q92570 1/20 0.39
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
PTPN11 Q06124 1/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL2003669 0.93 ALDH1A1 (0.41) KMT2AF10MAOBALDH1A1HDAC1
SCHEMBL2000296 0.91 KMT2A (0.43) KMT2ANR1H4NR4A2PLA2G4BF10
SCHEMBL2000480 0.90 TSHR (0.45) KMT2APLA2G4BALDH1A1POLBHTT
SCHEMBL2001624 0.86 MAPT (0.50) KMT2AMAOBALDH1A1SMN1; SMN2
SCHEMBL2003667 0.84 ALDH1A1 (0.42) KMT2AF10MAOBALDH1A1HDAC1
SCHEMBL2001772 0.84 MAPT (0.47) KMT2AALDH1A1POLBHTTSMN1; SMN2
SCHEMBL2000962 0.81 ALDH1A1 (0.38) KMT2AALDH1A1HTTSMN1; SMN2KDM4E
SCHEMBL2004365 0.80 NR1H2 (0.43) HDAC1HDAC2KDM4E
SCHEMBL2000478 0.80 TSHR (0.45) KMT2APLA2G4BALDH1A1POLBHTT
SCHEMBL1997783 0.79 NR1H2 (0.44) KMT2AALDH1A1POLBSMN1; SMN2KDM4E

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 KMT2A 2880/4885NR1H4 4/4885NR4A2 26/4885
US-11648220-B2 Methods for the treatment of myeloid derived suppressor cells related disorders NR1H3, NR1H2, MCL1 KMT2A 729/4885NR1H4 41/4885NR4A2 377/4885
US-20230338314-A1 METHODS FOR THE TREATMENT OF MYELOID DERIVED SUPPRESSOR CELLS RELATED DISORDERS NR1H3, NR1H2, MCL1 KMT2A 729/4885NR1H4 41/4885NR4A2 377/4885
US-20190029984-A1 METHODS FOR THE TREATMENT OF MYELOID DERIVED SUPPRESSOR CELLS RELATED DISORDERS NR1H3, NR1H2, MCL1 KMT2A 729/4885NR1H4 41/4885NR4A2 377/4885
US-20190125745-A1 TREATMENT AND DIAGNOSIS OF CANCER NR1H4, NR1H3, NR1H2 KMT2A 1900/4885NR1H4 1/4885NR4A2 61/4885
US-20100227847-A1 Non-Anilinic Derivatives Of Isothiazol-3(2H)-one 1,1-Dioxides As Liver X Receptor Modulators NR1H2, NR1H3, NR1I2 KMT2A 2880/4885NR1H4 4/4885NR4A2 26/4885

“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.