SCHEMBL4518072

SCHEMBL4518072

C[C@@H](COc1ccc(Cl)cc1C(N)=O)NS(=O)(=O)c1ccc(Br)cc1OC(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.43
IDH1 O75874 1/20 0.42
ALPL P05186 7/20 0.41
CHRM2 P08172 6/20 0.40
CHRM1 P11229 6/20 0.40
RRM1 P23921 6/20 0.40
RRM2B Q7LG56 6/20 0.40
DDR1 Q08345 1/20 0.36
CNR2 P34972 1/20 0.36
AAK1 Q2M2I8 1/20 0.35
PTPN1 P18031 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
SCHEMBL13889067 0.95 PPARG (0.39) PPARGIDH1ALPLCHRM2CHRM1
SCHEMBL4517562 0.84 WDR5 (0.50) ALPL
SCHEMBL4510480 0.79 ALPL (0.48) ALPL
SCHEMBL4518235 0.79 ALDH1A1 (0.44) ALPLCHRM2CHRM1RRM1RRM2B
SCHEMBL4512653 0.79 MMP7 (0.46) ALPL
SCHEMBL4515854 0.78 CHRM2 (0.40) CHRM2CHRM1RRM1RRM2B
SCHEMBL4516340 0.76 KMT2A (0.48) ALPLCHRM2CHRM1RRM1RRM2B
SCHEMBL4507378 0.76 MMP13 (0.47)
SCHEMBL4515213 0.75 NR3C1 (0.55)
SCHEMBL3019250 0.73 ALPL (0.55) PPARGIDH1ALPLCHRM2CHRM1

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 3 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
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 PPARG 122/4885IDH1 3656/4885ALPL 3419/4885

“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.