SCHEMBL4516501

SCHEMBL4516501

COc1cc(C)c(S(=O)(=O)NCCNc2ccccc2)c(C)c1C

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.55
NMT1 P30419 2/20 0.49
AVPR1B P47901 6/20 0.46
AVPR1A P37288 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
PKM P14618 1/20 0.42
NR3C1 P04150 1/20 0.41
PGR P06401 1/20 0.41
NR3C2 P08235 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL4526256 0.81 F2 (0.60) F2NMT1AVPR1BAVPR1AL3MBTL1
SCHEMBL16509566 0.81 NMT1 (0.62) F2NMT1AVPR1BMEN1KMT2A
SCHEMBL16502981 0.81 F2 (0.68) F2NMT1AVPR1BAVPR1AL3MBTL1
SCHEMBL4516684 0.80 L3MBTL1 (0.67) L3MBTL1NR3C1PGRNR3C2CYP1A2
SCHEMBL13940302 0.80 NMT1 (0.51) F2NMT1AVPR1BAVPR1AL3MBTL1
SCHEMBL4080617 0.79 F2 (0.56) F2NMT1AVPR1BAVPR1APKM
SCHEMBL3822184 0.73 F2 (0.59) F2NMT1AVPR1BAVPR1APKM
SCHEMBL13017224 0.72 F2 (0.47) F2NMT1AVPR1BAVPR1AMEN1
SCHEMBL4448257 0.72 L3MBTL1 (0.63) L3MBTL1TDP1PKMNR3C1PGR
SCHEMBL2372022 0.72 NMT1 (0.57) F2NMT1AVPR1BAVPR1AL3MBTL1

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 3409/4885NMT1 2418/4885AVPR1B 525/4885

“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.