SCHEMBL1996988

SCHEMBL1996988

COc1ccc(OC(=O)CNC2=C(c3ccccc3)S(O)(O)N(C(C)(C)C)C2=O)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
GAA P10253 2/20 0.37
TAAR1 Q96RJ0 1/20 0.37
MAPK1 P28482 1/20 0.36
NR1H2 P55055 5/20 0.36
NR1H3 Q13133 5/20 0.36
POLB P06746 2/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
ALDH1A1 P00352 4/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HTT P42858 2/20 0.35
MMP1 P03956 1/20 0.35
MMP9 P14780 1/20 0.35
MMP13 P45452 1/20 0.35
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL1996986 0.90 NR1H2 (0.45) MEN1KMT2AHSD17B10NPC1RAB9A
SCHEMBL2006561 0.88 KMT2A (0.44) MEN1KMT2ANPC1RAB9AGAA
SCHEMBL2001655 0.82 CDC25A (0.41) MEN1KMT2AGAANR1H2NR1H3
SCHEMBL2006558 0.79 KMT2A (0.44) MEN1KMT2ANPC1RAB9AGAA
SCHEMBL3504273 0.77 NR1H2 (0.41) NR1H2NR1H3
SCHEMBL1996669 0.76 KMT2A (0.42) MEN1KMT2ANPC1RAB9AGAA
SCHEMBL2000480 0.74 TSHR (0.45) MEN1KMT2AHSD17B10NPC1RAB9A
SCHEMBL2005076 0.73 NR1H2 (0.46) MEN1KMT2AHSD17B10NPC1RAB9A
SCHEMBL2006275 0.73 KMT2A (0.39) MEN1KMT2AGAANR1H2NR1H3
SCHEMBL30411787 0.72 NR1H2 (0.47) HSD17B10NPC1RAB9AGAAMAPK1

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 6 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-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 MEN1 4332/4885KMT2A 2880/4885HSD17B10 317/4885
US-20100227847-A1 Non-Anilinic Derivatives Of Isothiazol-3(2H)-one 1,1-Dioxides As Liver X Receptor Modulators NR1H2, NR1H3, NR1I2 MEN1 4332/4885KMT2A 2880/4885HSD17B10 317/4885

“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.