SCHEMBL7716256

SCHEMBL7716256

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

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOA P21397 6/20 0.43
MAOB P27338 6/20 0.43
PRF1 P14222 4/20 0.41
PTGS2 P35354 7/20 0.38
PTGS1 P23219 6/20 0.38
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
PDE4D Q08499 1/20 0.35
ACHE P22303 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
SCHEMBL7712590 0.93 MAOA (0.43) MAOAMAOBPRF1PTGS2PTGS1
SCHEMBL14749575 0.92 MAOA (0.44) MAOAMAOBPRF1PTGS2PDE4D
SCHEMBL14737565 0.91 MAOA (0.45) MAOAMAOBPRF1PTGS2PTGS1
SCHEMBL14737018 0.89 MAOA (0.44) MAOAMAOBPRF1CA12CA1
SCHEMBL14737209 0.88 PRF1 (0.47) MAOAMAOBPRF1PTGS2PTGS1
SCHEMBL2588544 0.85 MAOA (0.44) MAOAMAOBPRF1PTGS2PDE4D
SCHEMBL2594294 0.85 AKT1 (0.36) PTGS2PTGS1CA12CA1CA2
SCHEMBL2590026 0.83 MAOA (0.46) MAOAMAOBPRF1PTGS2PDE4D
SCHEMBL2584975 0.83 PRF1 (0.43) MAOAMAOBPRF1PDE4D
SCHEMBL14736965 0.82 PRF1 (0.50) MAOAMAOBPRF1CA1CA2

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 6 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
WO-2011134468-A1 BIARYL PHOSPHODIESTERASE INHIBITORS LEO PHARMA A/S (DK) 2011-11-03 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-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.