SCHEMBL4802402

SCHEMBL4802402

NS(=O)(=O)c1ccc(-c2cccs2)cc1F

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.47
GHSR Q92847 3/20 0.45
ERN1 O75460 2/20 0.44
PTGS1 P23219 2/20 0.43
PTGS2 P35354 2/20 0.43
KAT6A Q92794 1/20 0.43
SLC6A11 P48066 1/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC2 Q92769 2/20 0.42
LTA4H P09960 1/20 0.41
CA2 P00918 3/20 0.41
CA9 Q16790 3/20 0.41
CA1 P00915 2/20 0.41
CA12 O43570 1/20 0.41
HDAC3 O15379 1/20 0.41
ACLY P53396 1/20 0.40
CA13 Q8N1Q1 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
SCHEMBL4802250 0.81 KCNH2 (0.47) KCNH2GHSRERN1SLC6A11HDAC1
SCHEMBL4804005 0.78 GHSR (0.48) KCNH2GHSRERN1CA2CA9
SCHEMBL6318301 0.76 KCNH2 (0.55) KCNH2ERN1SLC6A11HDAC1HDAC2
SCHEMBL27740028 0.75 KCNH2 (0.50) KCNH2ERN1SLC6A11HDAC1HDAC2
SCHEMBL7056060 0.75 ERN1 (0.58) KCNH2ERN1
SCHEMBL13743260 0.74 KIF11 (0.61)
SCHEMBL20899928 0.74 SLC6A11 (0.42) KCNH2ERN1SLC6A11HDAC1HDAC2
SCHEMBL13742923 0.73 CA2 (0.61) KCNH2PTGS1PTGS2LTA4HCA2
SCHEMBL29945114 0.73 KCNH2 (0.52) KCNH2ERN1SLC6A11HDAC1HDAC2
SCHEMBL6744197 0.73 KCNH2 (0.52) KCNH2ERN1SLC6A11HDAC1HDAC2

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 KCNH2 1314/4885GHSR 1/4885ERN1 4644/4885

“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.