SCHEMBL2004764

SCHEMBL2004764

CCCCN1C(=O)C(NCc2ccc(OC)cc2)=C(c2ccccc2)S1(=O)=O

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
TP53 P04637 1/20 0.45
GAA P10253 1/20 0.43
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42
NR1H2 P55055 2/20 0.42
NR1H3 Q13133 2/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
ALDH1A1 P00352 2/20 0.41
GRM2 Q14416 1/20 0.41
LMNA P02545 1/20 0.41
HRH1 P35367 2/20 0.40
HRH4 Q9H3N8 2/20 0.40
TPSAB1 Q15661 1/20 0.40
TPSD1 Q9BZJ3 1/20 0.40
TPSG1 Q9NRR2 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL1998121 0.90 CA12 (0.48) GAACA12CA9ALDH1A1GRM2
SCHEMBL1997883 0.88 CA12 (0.39) MAPTSMN1; SMN2TP53GAACA12
SCHEMBL3488399 0.86 NR1H2 (0.55) MAPTSMN1; SMN2CA12CA9NR1H2
SCHEMBL19128382 0.85 DRD2 (0.43) MAPTSMN1; SMN2CA12CA9NR1H2
SCHEMBL2000112 0.81 ALDH1A1 (0.42) MAPTSMN1; SMN2GAACA12CA9
SCHEMBL5185942 0.81 ACHE (0.43) GAACA12CA9ALDH1A1GRM2
SCHEMBL5614095 0.81 MAPT (0.52) MAPTSMN1; SMN2CA12CA9NR1H2
SCHEMBL1998233 0.80 CA12 (0.45) MAPTSMN1; SMN2TP53GAACA12
SCHEMBL2001526 0.79 SMN1; SMN2 (0.52) MAPTSMN1; SMN2GAANPC1RAB9A
SCHEMBL2001723 0.79 KDM4E (0.46) MAPTSMN1; SMN2TP53GAACA12

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 13 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
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
EP-1838687-A1 NON-ANILINIC DERIVATIVES OF ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATORS AstraZeneca AB (SE) 2007-10-03 EP disclosed
WO-2006073366-A1 NON-ANILINIC 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 (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 MAPT 2119/4885SMN1; SMN2 4033/4885TP53 4360/4885
US-11648220-B2 Methods for the treatment of myeloid derived suppressor cells related disorders NR1H3, NR1H2, MCL1 MAPT 3623/4885SMN1; SMN2 1505/4885TP53 1276/4885
US-20230338314-A1 METHODS FOR THE TREATMENT OF MYELOID DERIVED SUPPRESSOR CELLS RELATED DISORDERS NR1H3, NR1H2, MCL1 MAPT 3623/4885SMN1; SMN2 1505/4885TP53 1276/4885
US-20190029984-A1 METHODS FOR THE TREATMENT OF MYELOID DERIVED SUPPRESSOR CELLS RELATED DISORDERS NR1H3, NR1H2, MCL1 MAPT 3623/4885SMN1; SMN2 1505/4885TP53 1276/4885
US-20190125745-A1 TREATMENT AND DIAGNOSIS OF CANCER NR1H4, NR1H3, NR1H2 MAPT 4774/4885SMN1; SMN2 4812/4885TP53 540/4885
US-20100227847-A1 Non-Anilinic Derivatives Of Isothiazol-3(2H)-one 1,1-Dioxides As Liver X Receptor Modulators NR1H2, NR1H3, NR1I2 MAPT 2119/4885SMN1; SMN2 4033/4885TP53 4360/4885

“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.