SCHEMBL1999984

SCHEMBL1999984

CC(C)(C)N(C(=O)C(=O)O)S(=O)(=O)Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.49
RORC P51449 2/20 0.43
TSHR P16473 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 3/20 0.42
HPGD P15428 2/20 0.42
USP2 O75604 1/20 0.42
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
MMP13 P45452 1/20 0.41
ALDH1A1 P00352 2/20 0.40
FAAH O00519 1/20 0.40
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
ELANE P08246 1/20 0.40
PRTN3 P24158 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
SCHEMBL7600174 0.86 HSP90AA1 (0.51) HSP90AA1RORCTSHRSMN1; SMN2HSD17B10
SCHEMBL10900809 0.77 HSP90AA1 (0.52) HSP90AA1RORCTSHRSMN1; SMN2HSD17B10
SCHEMBL5606828 0.77 HSP90AA1 (0.49) HSP90AA1RORCTSHRHSD17B10HPGD
SCHEMBL18016435 0.75 HSP90AA1 (0.55) HSP90AA1RORCTSHRSMN1; SMN2HSD17B10
SCHEMBL14873489 0.74 RORC (0.47) HSP90AA1RORCTSHRSMN1; SMN2HSD17B10
SCHEMBL16187647 0.73 RORC (0.46) HSP90AA1RORCTSHRSMN1; SMN2HSD17B10
SCHEMBL224787 0.72 HSP90AA1 (0.55) HSP90AA1RORCSMN1; SMN2HSD17B10HPGD
SCHEMBL3174757 0.70 HSP90AA1 (0.57) HSP90AA1TSHRHSD17B10HPGDUSP2
SCHEMBL6158774 0.70 KMT2A (0.50) CA2MMP1MMP8MMP13ALDH1A1
SCHEMBL5966751 0.69 HSP90AA1 (0.51) HSP90AA1RORCTSHRSMN1; SMN2HSD17B10

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 15 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-20100016321-A1 DERIVATIVES OF ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATOR ASTRAZENECA AB (SE) 2010-01-21 US disclosed
US-7582629-B2 Derivatives of isothiazol-3(2H)-one 1,1-dioxides as liver X receptor modulators ASTRAZENECA AB (SE) 2009-09-01 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
US-20080319017-A2 Non-Anilinic Derivatives of Isothiazol-3(2H)-Thione 1,1-Dioxides As Liver X Receptor Modulators ASTRAZENECA AB (SE) 2008-12-25 US disclosed
US-20080255122-A1 Derivatives of Isothiazol-3(2H)-One 1,1-Dioxides as Liver X Receptor Modulators ASTRAZENECA AB (SE) 2008-10-16 US disclosed
US-20080139616-A1 Atherosclerosis; inflammatory diseases, Alzheimer's disease, dyslipidemia, metabolic syndrome; 2-isopropyl-5-phenyl-4-[(4-phenylbutyl)amino]isothiazole-3(2H)-thione 1,1-dioxide for example ASTRAZENECA AB (SE) 2008-06-12 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
EP-1838686-A1 DERIVATIVES OF ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATORS AstraZeneca AB (SE) 2007-10-03 EP disclosed
EP-1838684-A1 NON-ANILINIC DERIVATIVES OF ISOTHIAZOL-3(2H)-THIONE 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
WO-2006073365-A1 NON-ANILINIC DERIVATIVES OF ISOTHIAZOL-3(2H)-THIONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2006-07-13 WO disclosed
WO-2006073363-A1 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-20100016321-A1 DERIVATIVES OF ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATOR NR1H2, NR1H3, NR1I2 HSP90AA1 1889/4885RORC 58/4885TSHR 540/4885
US-20090005353-A1 Non-Anilinic Derivatives of Isothiazol-3(2H)-one 1,1-Dioxides as Liver X Receptor Modulators NR1H2, NR1H3, NR1I2 HSP90AA1 1818/4885RORC 56/4885TSHR 614/4885
US-20080319017-A2 Non-Anilinic Derivatives of Isothiazol-3(2H)-Thione 1,1-Dioxides As Liver X Receptor Modulators NR1H2, NR1H3, NR1I2 HSP90AA1 1749/4885RORC 57/4885TSHR 185/4885
US-20080139616-A1 Atherosclerosis; inflammatory diseases, Alzheimer's disease, dyslipidemia, metabolic syndrome; 2-isopropyl-5-phenyl-4-[(4-phenylbutyl)amino]isothiazole-3(2H)-thione 1,1-dioxide for example NR1H2, NR1H3, SREBF1 HSP90AA1 1916/4885RORC 69/4885TSHR 870/4885
US-20100227847-A1 Non-Anilinic Derivatives Of Isothiazol-3(2H)-one 1,1-Dioxides As Liver X Receptor Modulators NR1H2, NR1H3, NR1I2 HSP90AA1 1818/4885RORC 56/4885TSHR 614/4885
US-20080255122-A1 Derivatives of Isothiazol-3(2H)-One 1,1-Dioxides as Liver X Receptor Modulators NR1H2, NR1H3, NR1I2 HSP90AA1 1704/4885RORC 59/4885TSHR 523/4885

“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.