SCHEMBL8027459

SCHEMBL8027459

CC(C(=O)O)N(C)c1ccc(Cc2ccc(CO)c(-c3cccc(Cl)c3)c2)cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 1/20 0.38
BRS3 P32247 1/20 0.37
STK4 Q13043 1/20 0.36
STK3 Q13188 1/20 0.36
LRRK2 Q5S007 1/20 0.36
CD274 Q9NZQ7 1/20 0.35
PLA2G10 O15496 3/20 0.35
PLA2G2A P14555 3/20 0.35
PDE4B Q07343 3/20 0.35
CYP3A4 P08684 2/20 0.35
PLA2G1B P04054 1/20 0.35
PLA2G5 P39877 1/20 0.35
PLA2G2C Q5R387 1/20 0.35
PLA2G12B Q9BX93 1/20 0.35
PLA2G12A Q9BZM1 1/20 0.35
PLA2G2F Q9BZM2 1/20 0.35
PLA2G3 Q9NZ20 1/20 0.35
PLA2G2E Q9NZK7 1/20 0.35
PLA2G2D Q9UNK4 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL13865477 0.86 PDE4D (0.55) PDE4DPDE4BSLC6A9
SCHEMBL3466496 0.84 PDE4B (0.45) PDE4DCD274PDE4BSLC6A9
SCHEMBL3466491 0.84 PDE4B (0.45) PDE4DCD274PDE4BSLC6A9
SCHEMBL3467286 0.72 PDE4D (0.56) PDE4DPDE4BSLC6A9
SCHEMBL3465831 0.71 SLC6A9 (0.46) PDE4DPDE4BSLC6A9
SCHEMBL16044310 0.70 PDE4B (0.42) PDE4DSTK4STK3PDE4BLMNA
SCHEMBL4316681 0.69 PDE4D (0.47) PDE4DSTK4STK3LRRK2PLA2G2A
SCHEMBL3788986 0.68 PDE4D (0.58) PDE4DPDE4B
SCHEMBL8078532 0.67 STK4 (0.36) PDE4DSTK4STK3LRRK2PDE4B
SCHEMBL2927258 0.67 SLC6A9 (0.37) PDE4DPDE4BCYP3A4MAPTCYP2C19

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120213758-A1 BIARYL PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS DeCODE Genetics enf (IS) 2012-08-23 US disclosed
WO-2009067621-A1 BIARYL PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS DECODE GENETICS EHF (IS) 2009-05-28 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-20120213758-A1 BIARYL PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS PDE4A, PDE4B, PDE3B PDE4D 7/4885BRS3 895/4885STK4 1351/4885

“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.