SCHEMBL4526256

SCHEMBL4526256

COc1cc(C)c(S(=O)(=O)NCCCc2ccccc2)c(C)c1C

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.60
L3MBTL1 Q9Y468 1/20 0.55
TDP1 Q9NUW8 1/20 0.54
AVPR1A P37288 1/20 0.52
AVPR1B P47901 4/20 0.52
ALDH1A1 P00352 3/20 0.51
SMN1; SMN2 Q16637 1/20 0.49
POLB P06746 1/20 0.49
NMT1 P30419 1/20 0.48
TP53 P04637 1/20 0.46
GAA P10253 1/20 0.46

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
SCHEMBL16502981 0.85 F2 (0.68) F2L3MBTL1AVPR1AAVPR1BALDH1A1
SCHEMBL4516501 0.81 F2 (0.55) F2L3MBTL1TDP1AVPR1AAVPR1B
SCHEMBL4514428 0.80 L3MBTL1 (0.83) L3MBTL1TDP1ALDH1A1SMN1; SMN2POLB
SCHEMBL13940302 0.79 NMT1 (0.51) F2L3MBTL1AVPR1AAVPR1BALDH1A1
SCHEMBL4515569 0.79 NR3C1 (0.68) F2L3MBTL1AVPR1BALDH1A1POLB
SCHEMBL4080617 0.78 F2 (0.56) F2AVPR1AAVPR1BALDH1A1NMT1
SCHEMBL23752436 0.75 F2 (1.00) F2AVPR1AAVPR1BNMT1
SCHEMBL23752437 0.75 F2 (1.00) F2AVPR1AAVPR1BNMT1
SCHEMBL16509566 0.75 NMT1 (0.62) F2AVPR1BALDH1A1SMN1; SMN2NMT1
SCHEMBL3450185 0.74 F2 (0.53) F2AVPR1AAVPR1BNMT1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090093485-A1 Novel Sulphonamide Derivatives as Glucocorticoid Receptor Modulators for the Treatment of Inflammatory Diseases ASTRAZENECA AB (SE) 2009-04-09 US disclosed
US-20090093485-A1 Novel Sulphonamide Derivatives as Glucocorticoid Receptor Modulators for the Treatment of Inflammatory Diseases ASTRAZENECA AB (SE) 2009-04-09 US disclosed
US-20090093485-A1 Novel Sulphonamide Derivatives as Glucocorticoid Receptor Modulators for the Treatment of Inflammatory Diseases ASTRAZENECA AB (SE) 2009-04-09 US disclosed
EP-1807391-A1 NOVEL SULPHONAMIDE DERIVATIVES AS GLUCOCORTICOID RECEPTOR MODULATORS FOR THE TREATMENT OF INFLAMMATORY DISEASES AstraZeneca AB (SE) 2007-07-18 EP disclosed
WO-2006046916-A1 NOVEL SULPHONAMIDE DERIVATIVES AS GLUCOCORTICOID RECEPTOR MODULATORS FOR THE TREATMENT OF INFLAMMATORY DISEASES ASTRAZENECA AB (SE) 2006-05-04 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 (1 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-20090093485-A1 Novel Sulphonamide Derivatives as Glucocorticoid Receptor Modulators for the Treatment of Inflammatory Diseases NR3C1, NR3C2, NR5A1 F2 3409/4885L3MBTL1 4844/4885TDP1 4569/4885

“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.