SCHEMBL4802797

SCHEMBL4802797

NS(=O)(=O)c1ccc(-c2ccoc2)cc1F

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGES2 Q9H7Z7 1/20 0.47
PTGS2 P35354 6/20 0.45
PTGS1 P23219 5/20 0.45
ERN1 O75460 3/20 0.43
PARP1 P09874 1/20 0.39
TPI1 P60174 1/20 0.39
PARP2 Q9UGN5 1/20 0.39
KIF11 P52732 1/20 0.39
TOP2A P11388 1/20 0.38
GHSR Q92847 2/20 0.38
ALOX5AP P20292 2/20 0.35
FEN1 P39748 2/20 0.35
HDAC2 Q92769 1/20 0.35
CA2 P00918 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
SCHEMBL13743260 0.72 KIF11 (0.61) PTGES2KIF11ALOX5APFEN1
SCHEMBL6732618 0.72 PTGS2 (0.67) PTGS2PTGS1
SCHEMBL6722914 0.72 PTGS2 (0.46) PTGS2PTGS1KIF11ALOX5APFEN1
SCHEMBL1015776 0.70 ERN1 (0.45) ERN1PARP1TPI1PARP2TOP2A
SCHEMBL23832427 0.70 PTGES2 (0.63) PTGES2CA2
SCHEMBL6723595 0.70 PTGS2 (0.41) PTGS2PTGS1KIF11ALOX5APFEN1
SCHEMBL789994 0.69 PTGS1 (0.48) PTGES2PTGS2PTGS1CA2
SCHEMBL29556118 0.69 PTGS1 (0.48) PTGES2PTGS2PTGS1CA2
SCHEMBL13742993 0.68 KIF11 (0.56) PTGS2PTGS1KIF11CA2
Iodide SCHEMBL28547721 0.67 PTGS1 (0.47) PTGES2PTGS2PTGS1CA2

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 PTGES2 547/4885PTGS2 558/4885PTGS1 467/4885

“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.