SCHEMBL2591433

SCHEMBL2591433

COCOc1c(Br)ccc(OC(F)F)c1OC

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
PDE4B Q07343 1/20 0.33
PDE4D Q08499 1/20 0.33
TUBB1 Q9H4B7 2/20 0.32
F2RL3 Q96RI0 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA4 P22748 1/20 0.31
CA6 P23280 1/20 0.31
HPGD P15428 1/20 0.30
CASP1 P29466 1/20 0.30
PTPN1 P18031 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL2588591 0.88 MAPT (0.34) ALOX5APFEN1PDE4BPDE4DTUBB1
SCHEMBL2591532 0.86 MEN1 (0.36) ALOX5APFEN1TUBB1MAPT
SCHEMBL14736781 0.84 TUBB1 (0.40) TUBB1CA1CA2CA4CA6
SCHEMBL2589057 0.84 ALDH1A1 (0.33) ALOX5APFEN1PDE4BPDE4DTUBB1
SCHEMBL2584271 0.84 ALDH1A1 (0.41) ALOX5APFEN1TUBB1HPGDMAPT
SCHEMBL2590931 0.82 ALOX5AP (0.33) ALOX5APFEN1PDE4BPDE4DTUBB1
SCHEMBL2582074 0.80 TSHR (0.48) PDE4DHPGDCASP1PTPN1
SCHEMBL2583910 0.80 NCOA1 (0.40) TUBB1HPGDMAPT
SCHEMBL6899392 0.79 MAPT (0.40) TUBB1F2RL3HPGDPTPN1MAPT
SCHEMBL2591340 0.78 NUDT1 (0.35) ALOX5APFEN1

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 ALOX5AP 1808/4885FEN1 342/4885PDE4B 5/4885

“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.