SCHEMBL2006335

SCHEMBL2006335

Cc1cc(C)c(CCOC(=O)CNC2=C(c3ccccc3)S(O)(O)N(C(C)(C)C)C2=O)c(C)c1

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.32
NR1H3 Q13133 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
USP2 O75604 1/20 0.31
LMNA P02545 1/20 0.31
TDP1 Q9NUW8 3/20 0.30
L3MBTL1 Q9Y468 2/20 0.30
POLB P06746 1/20 0.30
RECQL P46063 1/20 0.30
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
HPGD P15428 1/20 0.30
MCL1 Q07820 1/20 0.30

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
SCHEMBL2006332 0.91 NR1H2 (0.41) NR1H2NR1H3SMN1; SMN2USP2TDP1
SCHEMBL5200797 0.81 NR1H2 (0.34) NR1H2NR1H3MEN1KMT2A
SCHEMBL2001655 0.78 CDC25A (0.41) NR1H2NR1H3LMNAMEN1KMT2A
SCHEMBL1996988 0.75 MEN1 (0.39) NR1H2NR1H3SMN1; SMN2TDP1L3MBTL1
SCHEMBL2006275 0.72 KMT2A (0.39) NR1H2NR1H3SMN1; SMN2L3MBTL1MEN1
SCHEMBL2000480 0.70 TSHR (0.45) USP2L3MBTL1POLBRECQLMEN1
SCHEMBL2000107 0.70 NR1H2 (0.33) NR1H2NR1H3LMNA
SCHEMBL30410606 0.69 NR1H2 (0.42) NR1H2NR1H3SMN1; SMN2USP2TDP1
SCHEMBL2001082 0.69 ESR1 (0.40) NR1H2SMN1; SMN2LMNATDP1
SCHEMBL5308618 0.68 NR1H2 (0.36) NR1H2NR1H3LMNATDP1POLB

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 NR1H2 1/4885NR1H3 2/4885SMN1; SMN2 4033/4885
US-20100227847-A1 Non-Anilinic Derivatives Of Isothiazol-3(2H)-one 1,1-Dioxides As Liver X Receptor Modulators NR1H2, NR1H3, NR1I2 NR1H2 1/4885NR1H3 2/4885SMN1; SMN2 4033/4885

“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.