SCHEMBL1945696

SCHEMBL1945696

O=S(=O)(Nc1cccc(CCc2ccccn2)c1)c1ccc(-c2ccccn2)s1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PFKFB3 Q16875 4/20 0.64
MAPT P10636 1/20 0.61
HTT P42858 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
HSD11B1 P28845 1/20 0.58
GHSR Q92847 3/20 0.54
RXFP1 Q9HBX9 1/20 0.49
MLNR O43193 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
DRD3 P35462 1/20 0.47
HTR6 P50406 1/20 0.47
KDM4E B2RXH2 2/20 0.45
GAA P10253 1/20 0.45
CNKSR1 Q969H4 2/20 0.44
PKM P14618 1/20 0.44
F10 P00742 1/20 0.43
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL1948202 0.86 MAPT (0.68) PFKFB3MAPTHTTSMN1; SMN2NPSR1
SCHEMBL1946248 0.83 PTGES2 (0.55) PFKFB3MAPTHTTSMN1; SMN2NPSR1
SCHEMBL788488 0.78 PFKFB3 (1.00) PFKFB3MAPTGHSRRXFP1MLNR
SCHEMBL12563556 0.77 HSD11B1 (0.80) PFKFB3MAPTHTTSMN1; SMN2NPSR1
SCHEMBL12955622 0.77 PARP1 (0.61) PFKFB3GHSR
SCHEMBL1947196 0.77 HSD11B1 (0.63) MAPTHTTSMN1; SMN2NPSR1HSD11B1
SCHEMBL1948063 0.77 HSD11B1 (0.69) PFKFB3MAPTHTTSMN1; SMN2NPSR1
SCHEMBL1944991 0.76 SMN1; SMN2 (0.74) MAPTHTTSMN1; SMN2NPSR1HSD11B1
SCHEMBL1947915 0.76 MAPT (0.72) MAPTHTTSMN1; SMN2NPSR1HSD11B1
SCHEMBL1946616 0.75 MAPT (0.64) MAPTHTTSMN1; SMN2NPSR1HSD11B1

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-20110130426-A1 Novel Sulphonamide Derivatives as Glucocorticoid Receptor Modulators for the Treatment of Inflammatory Diseases ASTRAZENECA AB (SE) 2011-06-02 US disclosed
US-20110130426-A1 Novel Sulphonamide Derivatives as Glucocorticoid Receptor Modulators for the Treatment of Inflammatory Diseases ASTRAZENECA AB (SE) 2011-06-02 US disclosed
US-20110130426-A1 Novel Sulphonamide Derivatives as Glucocorticoid Receptor Modulators for the Treatment of Inflammatory Diseases ASTRAZENECA AB (SE) 2011-06-02 US 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-20110130426-A1 Novel Sulphonamide Derivatives as Glucocorticoid Receptor Modulators for the Treatment of Inflammatory Diseases NR3C1, NR3C2, NR5A1 PFKFB3 3119/4885MAPT 3552/4885HTT 3259/4885

“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.