SCHEMBL1997570

SCHEMBL1997570

Cc1ccc(S(=O)(=O)OCCCNC2=C(c3ccccc3)S(O)(O)N(C(C)(C)C)C2=O)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP24A1 Q07973 1/20 0.35
VDR P11473 1/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34
PSMD10 O75832 1/20 0.33
KDM4E B2RXH2 4/20 0.33
GAA P10253 2/20 0.33
POLB P06746 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ALDH1A1 P00352 4/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
NPSR1 Q6W5P4 2/20 0.32
STAT3 P40763 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA9 Q16790 1/20 0.32
CYP3A4 P08684 1/20 0.32

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
SCHEMBL1998250 0.94 VDR (0.35) CYP24A1VDRPTGS1PTGS2NR1H2
SCHEMBL1997572 0.90 NR1H2 (0.44) CYP24A1VDRPTGS1PTGS2NR1H2
SCHEMBL1998251 0.84 NR1H2 (0.46) CYP24A1VDRPTGS1PTGS2NR1H2
SCHEMBL2002114 0.81 VDR (0.36) CYP24A1VDRPTGS1PTGS2KDM4E
SCHEMBL2000480 0.76 TSHR (0.45) KDM4EPOLBHSD17B10ALDH1A1KMT2A
SCHEMBL1999834 0.76 NR1H2 (0.33) NR1H2NR1H3KDM4EGAAALDH1A1
SCHEMBL2001082 0.75 ESR1 (0.40) NR1H2ALDH1A1CYP2C19MAPTMAPK1
SCHEMBL2002116 0.74 VDR (0.37) CYP24A1VDRPTGS1PTGS2KDM4E
SCHEMBL3504273 0.73 NR1H2 (0.41) NR1H2NR1H3CA12CA9
SCHEMBL2003034 0.72 MEN1 (0.41) KDM4EGAAALDH1A1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (2 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 CYP24A1 437/4885VDR 162/4885PTGS1 377/4885
US-20100227847-A1 Non-Anilinic Derivatives Of Isothiazol-3(2H)-one 1,1-Dioxides As Liver X Receptor Modulators NR1H2, NR1H3, NR1I2 CYP24A1 437/4885VDR 162/4885PTGS1 377/4885

“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.