SCHEMBL4805183

SCHEMBL4805183

O=S(=O)(Oc1c(F)c(F)c(F)c(F)c1F)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 3/20 0.57
▸ CA1 P00915 3/20 0.57
▸ CA2 P00918 3/20 0.57
▸ CA9 Q16790 3/20 0.57
▸ CA7 P43166 2/20 0.57
▸ CA4 P22748 1/20 0.57
▸ CA5A P35218 1/20 0.57
▸ CA5B Q9Y2D0 1/20 0.57
▸ AR P10275 9/20 0.53
▸ MGLL Q99685 3/20 0.49
▸ RORC P51449 1/20 0.48
▸ PPARG P37231 1/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ PTPRZ1 P23471 1/20 0.47
▸ LMNA P02545 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ PTGS1 P23219 1/20 0.46

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
SCHEMBL4119819 0.79 TDP1 (0.48) CA12CA1CA2CA9CA7
SCHEMBL8769185 0.79 GAA (0.56) CA12CA1CA2CA9CA7
SCHEMBL28663605 0.77 CA12 (0.70) CA12CA1CA2CA9CA7
SCHEMBL7108878 0.76 CA12 (0.74) CA12CA1CA2CA9CA7
SCHEMBL5037913 0.75 CA12 (0.58) CA12CA1CA2CA9CA7
SCHEMBL9260073 0.75 CA12 (0.72) CA12CA1CA2CA9CA7
SCHEMBL28508086 0.75 CA12 (0.72) CA12CA1CA2CA9CA7
SCHEMBL4622036 0.74 MEN1 (0.54) CA12CA1CA2CA9CA7
SCHEMBL8837631 0.74 TDP1 (0.51) CA12CA1CA2CA9CA7
SCHEMBL8760665 0.73 CA12 (1.00) CA12CA1CA2CA9CA7

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 8 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-7381728-B2 Piperazine derivatives useful for the treatment of gastrointestinal disorders GLAXO GROUP LIMITED (GB) 2008-06-03 — — US disclosed
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
US-20070259877-A1 Piperazine Derivatives Useful for the Treatment of Gastrointestinal Disorders GLAXO GROUP LIMITED 2007-11-08 — — US disclosed
US-20070259877-A1 Piperazine Derivatives Useful for the Treatment of Gastrointestinal Disorders GLAXO GROUP LIMITED 2007-11-08 — — US disclosed
EP-1778679-A1 PIPERAZINE DERIVATIVES USEFUL FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS GLAXO GROUP LIMITED (GB) 2007-05-02 — — EP disclosed
WO-2006010629-A1 PIPERAZINE DERIVATIVES USEFUL FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS GLAXO GROUP LIMITED (GB) 2006-02-02 — — 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-20070259877-A1 Piperazine Derivatives Useful for the Treatment of Gastrointestinal Disorders GHSR, GHRHR, GIPR CA12 3520/4885CA1 3327/4885CA2 2384/4885

“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.

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