SCHEMBL4516002

SCHEMBL4516002

O=S(=O)(NCCCc1ccccc1)c1ccc(Oc2ccc(F)cc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.70
ALDH1A1 P00352 5/20 0.67
TP53 P04637 1/20 0.63
GAA P10253 1/20 0.63
POLB P06746 1/20 0.58
MEN1 O00255 1/20 0.57
PKM P14618 1/20 0.57
KMT2A Q03164 1/20 0.57
SGMS1 Q86VZ5 2/20 0.57
FFAR1 O14842 1/20 0.56
FFAR4 Q5NUL3 1/20 0.56
LMNA P02545 1/20 0.53
CA12 O43570 2/20 0.52
CA1 P00915 2/20 0.52
CA2 P00918 2/20 0.52
MMP2 P08253 2/20 0.52
CA9 Q16790 2/20 0.52
HSD17B10 Q99714 1/20 0.51
PRMT1 Q99873 1/20 0.51

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
SCHEMBL4521900 0.92 ALDH1A1 (0.74) TAAR1ALDH1A1TP53GAAPOLB
SCHEMBL1287382 0.92 TAAR1 (0.82) TAAR1ALDH1A1TP53GAAPOLB
SCHEMBL13889019 0.88 TAAR1 (0.76) TAAR1ALDH1A1TP53GAAPOLB
SCHEMBL13073499 0.83 TAAR1 (1.00) TAAR1ALDH1A1GAAPOLBMEN1
SCHEMBL4517737 0.83 ALDH1A1 (0.68) TAAR1ALDH1A1TP53GAAPOLB
SCHEMBL407477 0.81 ALDH1A1 (1.00) TAAR1ALDH1A1TP53GAAPOLB
SCHEMBL6337882 0.81 ALDH1A1 (0.64) TAAR1ALDH1A1MEN1PKMKMT2A
SCHEMBL1287477 0.80 ALDH1A1 (0.68) ALDH1A1TP53GAAPOLBMEN1
SCHEMBL13889021 0.79 ALDH1A1 (0.81) TAAR1ALDH1A1TP53GAAPOLB
SCHEMBL8779503 0.78 ALDH1A1 (0.82) ALDH1A1TP53GAAPOLBMEN1

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 TAAR1 569/4885ALDH1A1 2398/4885TP53 4786/4885

“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.