SCHEMBL5664356

SCHEMBL5664356

CCCC(O)(O)n1c(N)nc2[nH]cnc2c1=O

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 15/20 0.33
PDE4B Q07343 15/20 0.33
PDE4C Q08493 15/20 0.33
PDE4D Q08499 15/20 0.33
ADORA2A P29274 11/20 0.33
ADORA2B P29275 7/20 0.33
ADORA3 P0DMS8 2/20 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
SCHEMBL8864931 0.81 CDK1 (0.32) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL5021633 0.79 PARP1 (0.34) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL667794 0.74 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL874734 0.74 ADORA2A (0.45) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL8843867 0.73 PDE4A (0.38) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL6847248 0.72 PDE4A (0.33) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL3237727 0.72 PNP (0.30)
SCHEMBL6272726 0.72 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL2983845 0.71 PNP (0.34) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL20866 0.71 ATAD2 (0.41) PDE4APDE4BPDE4CPDE4DADORA2A

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-1267898-A4 BILE ACID CONTAINING PRODRUGS WITH ENHANCED BIOAVAILABILITY UNIV MARYLAND (US) 2006-02-01 EP disclosed
US-20030212051-A1 Bile acid containing prodrugs with enhanced bioavailabilty UNIVERSITY OF MARYLAND, BALTIMORE 2003-11-13 US disclosed
EP-1267898-A2 BILE ACID CONTAINING PRODRUGS WITH ENHANCED BIOAVAILABILITY University of Maryland, Baltimore (US) 2003-01-02 EP disclosed
WO-2001076531-A2 BILE ACID CONTAINING PRODRUGS WITH ENHANCED BIOAVAILABILITY UNIVERSITY OF MARYLAND, BALTIMORE (US) 2001-10-18 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-20030212051-A1 Bile acid containing prodrugs with enhanced bioavailabilty SLC10A2, SLC10A1, NR1H4 PDE4A 1458/4885PDE4B 1510/4885PDE4C 1796/4885

“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.