SCHEMBL2584133

SCHEMBL2584133

CCCCCC(=O)OC1(COc2c(-c3ccc4c(c3)CNC4=O)ccc(OC)c2OC)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 2/20 0.36
POLQ O75417 1/20 0.34
MAPKAPK2 P49137 1/20 0.34
RET P07949 1/20 0.34
PRF1 P14222 6/20 0.33
GSK3B P49841 2/20 0.33
DAPK3 O43293 1/20 0.33
NTRK1 P04629 1/20 0.33
PIM1 P11309 1/20 0.33
FLT3 P36888 1/20 0.33
ROCK1 Q13464 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
TOP2A P11388 1/20 0.33
PRKCI P41743 1/20 0.32
ADORA1 P30542 1/20 0.32
TUBB4A P04350 1/20 0.32
TUBB P07437 1/20 0.32
TUBA3C P0DPH7 1/20 0.32
TUBA1B P68363 1/20 0.32
TUBA4A P68366 1/20 0.32

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
SCHEMBL14737976 0.97 TDP2 (0.36) TDP2POLQMAPKAPK2RETPRF1
SCHEMBL2584125 0.94 TDP2 (0.37) TDP2POLQMAPKAPK2PRF1GSK3B
SCHEMBL14740560 0.91 GSK3B (0.37) TDP2POLQMAPKAPK2PRF1GSK3B
SCHEMBL2589259 0.88 TDP2 (0.36) TDP2POLQMAPKAPK2PRF1GSK3B
SCHEMBL14734732 0.87 POLQ (0.38) TDP2POLQMAPKAPK2PRF1GSK3B
SCHEMBL14734745 0.86 HSD17B1 (0.40) ADORA1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL2592607 0.86 PRF1 (0.36) TDP2POLQMAPKAPK2PRF1GSK3B
SCHEMBL2592984 0.86 POLQ (0.35) TDP2POLQMAPKAPK2PRF1GSK3B
SCHEMBL2592944 0.86 GSK3B (0.35) TDP2POLQMAPKAPK2PRF1GSK3B
SCHEMBL2586008 0.85 PDE4D (0.44)

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 9 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-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
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 TDP2 54/4885POLQ 1717/4885MAPKAPK2 2431/4885

“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.