SCHEMBL4518235

SCHEMBL4518235

COc1cc(C)ccc1S(=O)(=O)N[C@@H](C)COc1ccc(Cl)cc1C(N)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
MEP1B Q16820 1/20 0.43
NR3C1 P04150 2/20 0.42
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
RRM1 P23921 1/20 0.41
RRM2B Q7LG56 1/20 0.41
KMT2A Q03164 2/20 0.41
KCNMA1 Q12791 1/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MCOLN3 Q8TDD5 1/20 0.39
TRPV4 Q9HBA0 1/20 0.39
ALPL P05186 1/20 0.39
NLRP3 Q96P20 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL4516340 0.93 KMT2A (0.48) ALDH1A1NR3C1CHRM2CHRM1RRM1
SCHEMBL4512653 0.90 MMP7 (0.46) ALDH1A1LMNATRPV4ALPLSMN1; SMN2
SCHEMBL4510480 0.89 ALPL (0.48) ALDH1A1KMT2ALMNAL3MBTL1ALPL
SCHEMBL4517562 0.85 WDR5 (0.50) ALDH1A1LMNAL3MBTL1ALPLSMN1; SMN2
SCHEMBL4515213 0.82 NR3C1 (0.55) NR3C1KMT2AMEN1
SCHEMBL4527510 0.82 AVPR1A (0.47) ALDH1A1NR3C1
SCHEMBL4515854 0.80 CHRM2 (0.40) NR3C1CHRM2CHRM1RRM1RRM2B
SCHEMBL13889065 0.79 NPSR1 (0.46) L3MBTL1NPSR1
SCHEMBL4518072 0.79 PPARG (0.43) CHRM2CHRM1RRM1RRM2BALPL
SCHEMBL13889067 0.79 PPARG (0.39) CHRM2CHRM1RRM1RRM2BALPL

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 ALDH1A1 2398/4885MEP1B 2473/4885NR3C1 1/4885

“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.