SCHEMBL5215697

SCHEMBL5215697

COc1cc2c(Oc3ccc(C4CCCCC4)cc3N)c(C(=O)O)sc2cc1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 7/20 0.37
PDE4A P27815 3/20 0.37
PDE4C Q08493 3/20 0.37
PDE4D Q08499 3/20 0.37
ACMSD Q8TDX5 2/20 0.34
DYRK1A Q13627 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
PIK3CD O00329 1/20 0.33
TBK1 Q9UHD2 3/20 0.33
MCHR1 Q99705 1/20 0.33
QDPR P09417 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
TUBB4B P68371 1/20 0.32
TUBB3 Q13509 1/20 0.32
TUBB2A Q13885 1/20 0.32
TUBB8 Q3ZCM7 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
SCHEMBL5215654 0.92 PDE4B (0.39) PDE4BPDE4APDE4CPDE4DACMSD
SCHEMBL5212384 0.92 PDE4B (0.41) PDE4BPDE4APDE4CPDE4DACMSD
SCHEMBL5212851 0.89 PDE4A (0.37) PDE4BPDE4APDE4CPDE4DACMSD
SCHEMBL4773675 0.89 DYRK1A (0.37) PDE4BPDE4APDE4CPDE4DACMSD
SCHEMBL5216211 0.87 SMN1; SMN2 (0.39) PDE4BPDE4APDE4CPDE4DACMSD
SCHEMBL5214032 0.87 SMN1; SMN2 (0.39) PDE4BPDE4APDE4CPDE4DACMSD
SCHEMBL4762850 0.86 PDE4A (0.35) PDE4BPDE4APDE4CPDE4DACMSD
SCHEMBL4766373 0.86 TUBB4A (0.38) PDE4BPDE4APDE4CPDE4DPIK3CD
SCHEMBL5210876 0.85 DYRK1A (0.38) PDE4BPDE4APDE4CPDE4DDYRK1A
SCHEMBL5215147 0.84 KMO (0.40) DYRK1APTGDR2PIK3CDKMOKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1636213-B1 3-ARYLOXY AND 3-HETEROARYLOXY SUBSTITUTED BENZO(B) THIOPHENES AS THERAPEUTIC AGENTS WITH PI3K ACTIVITY WARNER LAMBERT CO (US) 2007-06-13 EP disclosed
EP-1636213-A1 3-ARYLOXY AND 3-HETEROARYLOXY SUBSTITUTED BENZO(B) THIOPHENES AS THERAPEUTIC AGENTS WITH PI3K ACTIVITY Warner-Lambert Company LLC (US) 2006-03-22 EP disclosed
US-20040259926-A1 3-Aryloxy and 3-heteroaryloxy substituted benzo[b]thiophenes as therapeutic agents BRUENDL MICHELLE M (US) 2004-12-23 US disclosed
WO-2004108715-A1 3-ARYLOXY AND 3-HETEROARYLOXY SUBSTITUTED BENZO(B) THIOPHENES AS THERAPEUTIC AGENTS WITH PI3K ACTIVITY WARNER-LAMBERT COMPANY LLC (US) 2004-12-16 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-20040259926-A1 3-Aryloxy and 3-heteroaryloxy substituted benzo[b]thiophenes as therapeutic agents MALT1, CYP1B1, CYP4B1 PDE4B 2666/4885PDE4A 3397/4885PDE4C 4001/4885

“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.