SCHEMBL4802409

SCHEMBL4802409

O=S(=O)(NF)c1ccc(-c2cccs2)cc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.58
CA9 Q16790 3/20 0.58
CA12 O43570 2/20 0.58
CA1 P00915 2/20 0.58
MMP2 P08253 1/20 0.58
CA14 Q9ULX7 1/20 0.58
KAT6A Q92794 2/20 0.46
GHSR Q92847 8/20 0.44
LTA4H P09960 1/20 0.44
SCD O00767 1/20 0.42
HDAC2 Q92769 1/20 0.42
ACLY P53396 1/20 0.40
CYP17A1 P05093 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KCNH2 Q12809 1/20 0.40

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
SCHEMBL4802253 0.83 CA12 (0.58) CA2CA9CA12CA1MMP2
SCHEMBL4804011 0.79 CA12 (0.55) CA2CA9CA12CA1MMP2
SCHEMBL7058218 0.77 CA2 (0.51) CA2CA9CA12CA1MMP2
SCHEMBL13742923 0.77 CA2 (0.61) CA2CA9CA12CA1MMP2
SCHEMBL4201541 0.77 SCD (0.58) CA2CA9CA12CA1MMP2
SCHEMBL4804285 0.77 CA2 (0.55) CA2CA9CA12CA1MMP2
SCHEMBL4796613 0.77 CA2 (0.51) CA2CA9CA12CA1MMP2
SCHEMBL7058217 0.75 CA2 (0.54) CA2CA9CA12CA1MMP2
SCHEMBL338810 0.74 LTA4H (0.70) CA2CA9CA12CA1MMP2
SCHEMBL5052625 0.74 LTA4H (0.50) CA2CA9CA12CA1MMP2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7381728-B2 Piperazine derivatives useful for the treatment of gastrointestinal disorders GLAXO GROUP LIMITED (GB) 2008-06-03 US disclosed
US-20070259877-A1 Piperazine Derivatives Useful for the Treatment of Gastrointestinal Disorders GLAXO GROUP LIMITED 2007-11-08 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-20070259877-A1 Piperazine Derivatives Useful for the Treatment of Gastrointestinal Disorders GHSR, GHRHR, GIPR CA2 2384/4885CA9 3811/4885CA12 3520/4885

“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.