SCHEMBL2591948

SCHEMBL2591948

COc1c(OC(F)F)ccc(Br)c1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.40
MAPT P10636 4/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALOX5 P09917 1/20 0.34
PTGS2 P35354 1/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
MAPK1 P28482 2/20 0.34
LMNA P02545 1/20 0.34
ALOX15 P16050 2/20 0.33
ALOX12 P18054 2/20 0.33
AMY1A P0DUB6 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
HTT P42858 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MGAM O43451 1/20 0.33

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
SCHEMBL2589132 0.81 MAPT (0.53) ERN1MAPTTDP1ALOX5PTGS2
SCHEMBL31607167 0.77 ALOX5AP (0.44) ERN1MAPTSMN1; SMN2MAPK1LMNA
SCHEMBL22208768 0.77 ALOX5AP (0.44) ERN1MAPTSMN1; SMN2MAPK1LMNA
SCHEMBL2591532 0.76 MEN1 (0.36) MAPTMEN1KMT2ASMN1; SMN2MAPK1
SCHEMBL2591433 0.74 ALOX5AP (0.34) MAPTPDE4BPDE4DTUBB1
SCHEMBL2582074 0.73 TSHR (0.48) TDP1MEN1KMT2ASMN1; SMN2ALOX15
SCHEMBL2589057 0.73 ALDH1A1 (0.33) MAPTPDE4BPDE4DGAAALDH1A1
SCHEMBL2584271 0.73 ALDH1A1 (0.41) MAPTMEN1KMT2ASMN1; SMN2MAPK1
SCHEMBL2590931 0.72 ALOX5AP (0.33) MEN1KMT2APDE4BPDE4DHTT
SCHEMBL10209717 0.72 ERN1 (0.38) ERN1MAPTTDP1ALOX5PTGS2

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 11 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
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
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 ERN1 1872/4885MAPT 4737/4885TDP1 49/4885

“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.