SCHEMBL2591050

SCHEMBL2591050

[2H]C([2H])([2H])Oc1ccc(-c2ccc3c(c2)COC3=O)c(OCC(C)(C)C(=O)OC)c1OC([2H])([2H])[2H]

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PRF1 P14222 8/20 0.43
PDE4D Q08499 8/20 0.42
POLQ O75417 1/20 0.40
ACHE P22303 1/20 0.39
NR3C1 P04150 1/20 0.37
PGR P06401 1/20 0.37
IMPDH2 P12268 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL2589126 0.98 PDE4D (0.43) PRF1PDE4DPOLQNR3C1PGR
SCHEMBL2592520 0.98 PRF1 (0.43) PRF1PDE4DPOLQACHENR3C1
SCHEMBL2588202 0.93 PDE4D (0.42) PRF1PDE4DPOLQNR3C1PGR
SCHEMBL2585872 0.93 PRF1 (0.41) PRF1PDE4DPOLQACHENR3C1
SCHEMBL14737043 0.93 PRF1 (0.41) PRF1PDE4DPOLQACHENR3C1
SCHEMBL2588510 0.93 PDE4D (0.44) PRF1PDE4DPOLQNR3C1PGR
SCHEMBL2594284 0.91 PRF1 (0.48) PRF1PDE4DPOLQACHEKDM4E
SCHEMBL2592619 0.90 PRF1 (0.47) PRF1PDE4DPOLQACHE
SCHEMBL14736984 0.90 PRF1 (0.47) PRF1PDE4DPOLQ
SCHEMBL2584765 0.90 PDE4D (0.43) PRF1PDE4DACHE

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-20130059853-A1 BIARYL PHOSPHODIESTERASE INHIBITORS LEO PHARMA A/S (DK) 2013-03-07 US disclosed
EP-2563770-A1 BIARYL PHOSPHODIESTERASE INHIBITORS Leo Pharma A/S (DK) 2013-03-06 EP 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 PRF1 3550/4885PDE4D 10/4885POLQ 1717/4885

“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.