SCHEMBL2003223

SCHEMBL2003223

CC(C)N1C(=O)C(NCCc2ccnc(NC(=O)O)c2)=C(c2ccccc2)S1(O)O

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 12/20 0.41
RAB9A P51151 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NPC1 O15118 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
WNT3A P56704 1/20 0.36
PDCD1 Q15116 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
HTR7 P34969 2/20 0.35
MAPK14 Q16539 1/20 0.35

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
SCHEMBL2003225 0.91 NR3C2 (0.41) NR3C2RAB9AMEN1KMT2ANPC1
SCHEMBL2001737 0.82 KDM4E (0.33) SMN1; SMN2MAPK14
SCHEMBL2000988 0.77 CNR1 (0.39) RAB9ASMN1; SMN2PDCD1CD274
SCHEMBL2001383 0.76 NOS3 (0.36) MEN1KMT2ASMN1; SMN2HTR7
SCHEMBL1998325 0.75 MEN1 (0.47) MEN1KMT2A
SCHEMBL2001740 0.73 KDM4E (0.33) SMN1; SMN2MAPK14
SCHEMBL2001873 0.73 PPARA (0.35) MEN1KMT2ASMN1; SMN2
SCHEMBL1996165 0.72 GSK3B (0.43) NR3C2RAB9ASMN1; SMN2
SCHEMBL2000744 0.68 GBA1 (0.42) RAB9AMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL2000251 0.67 KDM4E (0.35) MEN1KMT2ASMN1; SMN2

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 NR3C2 65/4885RAB9A 3641/4885MEN1 4332/4885
US-20100227847-A1 Non-Anilinic Derivatives Of Isothiazol-3(2H)-one 1,1-Dioxides As Liver X Receptor Modulators NR1H2, NR1H3, NR1I2 NR3C2 65/4885RAB9A 3641/4885MEN1 4332/4885

“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.