SCHEMBL1998323

SCHEMBL1998323

CC(C)N1C(=O)C(NCCc2ccc(S(N)(=O)=O)cc2)=C(c2ccccc2)S1(=O)=O

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA1 P00915 9/20 0.46
CA2 P00918 9/20 0.46
CA12 O43570 5/20 0.46
CA4 P22748 4/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
RXFP1 Q9HBX9 1/20 0.46
CA9 Q16790 6/20 0.44
ALDH1A1 P00352 2/20 0.44
TAAR1 Q96RJ0 1/20 0.44
PIM1 P11309 1/20 0.44
CA5A P35218 1/20 0.43
CA7 P43166 1/20 0.43
CA5B Q9Y2D0 1/20 0.43
CA14 Q9ULX7 1/20 0.43

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
SCHEMBL1998325 0.89 MEN1 (0.47) CA1CA2CA12CA4MEN1
SCHEMBL1997402 0.84 CA1 (0.45) CA1CA2CA12CA4MEN1
SCHEMBL1996165 0.83 GSK3B (0.43)
SCHEMBL2003485 0.78 SMN1; SMN2 (0.54) CA1CA2CA12MEN1KMT2A
SCHEMBL2000744 0.78 GBA1 (0.42) MEN1KMT2AALDH1A1
SCHEMBL2001383 0.78 NOS3 (0.36) MEN1KMT2ATAAR1
SCHEMBL1997404 0.78 MEN1 (0.47) CA1CA2CA12CA4MEN1
SCHEMBL2002116 0.76 VDR (0.37) CA1CA12KMT2ACA9ALDH1A1
SCHEMBL2000688 0.76 L3MBTL1 (0.40) MEN1KMT2AALDH1A1
SCHEMBL1997881 0.76 TOP2A (0.42) MEN1KMT2AALDH1A1

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 8 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
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 (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 CA1 3692/4885CA2 3449/4885CA12 4594/4885
US-20100227847-A1 Non-Anilinic Derivatives Of Isothiazol-3(2H)-one 1,1-Dioxides As Liver X Receptor Modulators NR1H2, NR1H3, NR1I2 CA1 3692/4885CA2 3449/4885CA12 4594/4885

“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.