SCHEMBL14749575

SCHEMBL14749575

COc1c(OC(F)F)ccc(-c2ccc3c(c2)COC3=O)c1OCc1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOA P21397 6/20 0.44
MAOB P27338 6/20 0.44
PRF1 P14222 4/20 0.37
PDE4D Q08499 2/20 0.37
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PTGS2 P35354 5/20 0.36
ACHE P22303 1/20 0.35
ABCG2 Q9UNQ0 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
SCHEMBL2588544 0.93 MAOA (0.44) MAOAMAOBPRF1PDE4DPDE4A
SCHEMBL7716256 0.92 MAOA (0.43) MAOAMAOBPRF1PDE4DPTGS2
SCHEMBL2590026 0.91 MAOA (0.46) MAOAMAOBPRF1PDE4DPTGS2
SCHEMBL2592339 0.90 MAOA (0.44) MAOAMAOBPRF1PDE4DPDE4A
SCHEMBL7711333 0.89 MAOA (0.44) MAOAMAOBPRF1PDE4DPTGS2
SCHEMBL2589783 0.87 MAOA (0.46) MAOAMAOBPRF1PDE4DPTGS2
SCHEMBL7712590 0.85 MAOA (0.43) MAOAMAOBPRF1PDE4DPDE4A
SCHEMBL7711917 0.85 MAOA (0.45) MAOAMAOBPRF1PTGS2ACHE
SCHEMBL2584393 0.84 PDE4A (0.37) PDE4DPDE4APDE4BPDE4CPTGS2
SCHEMBL2584975 0.83 PRF1 (0.43) MAOAMAOBPRF1PDE4DPDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2563770-B1 BIARYL PHOSPHODIESTERASE INHIBITORS LEO PHARMA AS (DK) 2016-03-23 EP disclosed
US-9051290-B2 Biaryl phosphodiesterase inhibitors LEO PHARMA A/S (DK) 2015-06-09 US disclosed
US-9051290-B2 Biaryl phosphodiesterase inhibitors LEO PHARMA A/S (DK) 2015-06-09 US disclosed
US-20130059853-A1 BIARYL PHOSPHODIESTERASE INHIBITORS LEO PHARMA A/S (DK) 2013-03-07 US disclosed
US-20130059853-A1 BIARYL PHOSPHODIESTERASE INHIBITORS LEO PHARMA A/S (DK) 2013-03-07 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-20130059853-A1 BIARYL PHOSPHODIESTERASE INHIBITORS PDE3B, PDE3A, PDE4A MAOA 191/4885MAOB 223/4885PRF1 3550/4885

“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.