SCHEMBL2591187

SCHEMBL2591187

CCCNC(=O)COc1c(Br)ccc(OC(F)F)c1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 2/20 0.46
PDE4A P27815 1/20 0.46
PDE4B Q07343 1/20 0.46
PDE4C Q08493 1/20 0.46
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
ALDH1A1 P00352 1/20 0.42
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
HPGD P15428 3/20 0.41
NPC1 O15118 1/20 0.41
HSD17B10 Q99714 1/20 0.40
CASP1 P29466 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
LMNA P02545 1/20 0.39
CTSD P07339 1/20 0.39
GBA1 P04062 1/20 0.38

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
SCHEMBL2582074 0.82 TSHR (0.48) PDE4DKMT2AMEN1HPGDHSD17B10
SCHEMBL2589714 0.80 ALDH1A1 (0.48) KMT2AMEN1ALDH1A1CYP1A2CYP2C19
SCHEMBL2584271 0.78 ALDH1A1 (0.41) KMT2AMEN1ALDH1A1HPGDSMN1; SMN2
SCHEMBL2591532 0.77 MEN1 (0.36) KMT2AMEN1HSD17B10SMN1; SMN2LMNA
SCHEMBL2592790 0.75 PDE4A (0.38) PDE4DPDE4APDE4BPDE4CKMT2A
SCHEMBL2591433 0.73 ALOX5AP (0.34) PDE4DPDE4BHPGDCASP1
SCHEMBL1434626 0.72 PDE4D (0.64) PDE4DPDE4APDE4BPDE4CKMT2A
SCHEMBL15821823 0.72 PDE4D (0.64) PDE4DPDE4APDE4BPDE4CKMT2A
SCHEMBL885144 0.72 PDE4D (0.64) PDE4DPDE4APDE4BPDE4CKMT2A
SCHEMBL2589057 0.72 ALDH1A1 (0.33) PDE4DPDE4BALDH1A1

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 PDE4D 10/4885PDE4A 3/4885PDE4B 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.