SCHEMBL6330932

SCHEMBL6330932

CCOc1ccc(S(=O)(=O)NCC(O)O)cc1-c1nn2c(C(CC)CC)nc(C)c2c(=O)[nH]1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 17/20 0.52
PDE1A P54750 8/20 0.52
PDE1B Q01064 7/20 0.52
PDE1C Q14123 7/20 0.52
PDE6A P16499 2/20 0.52
PDE4B Q07343 2/20 0.52
PDE2A O00408 2/20 0.52
PDE9A O76083 2/20 0.52
PDE4A P27815 2/20 0.52
PDE6C P51160 2/20 0.52
PDE11A Q9HCR9 2/20 0.52
PDE10A Q9Y233 2/20 0.52
PDE6D O43924 1/20 0.52
CHRM2 P08172 1/20 0.52
ADORA3 P0DMS8 1/20 0.52
PDE6G P18545 1/20 0.52
MAOA P21397 1/20 0.52
ADORA1 P30542 1/20 0.52
ADRA1A P35348 1/20 0.52
PDE6B P35913 1/20 0.52

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
SCHEMBL6333779 0.86 PDE5A (0.57) PDE5APDE1APDE1BPDE1CPDE6A
SCHEMBL1456173 0.81 PDE5A (0.62) PDE5APDE1APDE1BPDE1CPDE6A
SCHEMBL6332252 0.81 PDE5A (0.66) PDE5APDE1APDE1BPDE1CPDE6A
SCHEMBL6334051 0.81 PDE5A (0.76) PDE5APDE1APDE1BPDE1CPDE6A
SCHEMBL6330772 0.81 PDE5A (0.64) PDE5APDE1APDE1BPDE1CPDE6A
SCHEMBL5901988 0.80 PDE5A (0.56) PDE5APDE1APDE1BPDE1CPDE6A
SCHEMBL6338787 0.80 PDE5A (0.65) PDE5APDE1APDE1BPDE1CPDE6A
SCHEMBL6330814 0.79 PDE5A (0.82) PDE5APDE1APDE1BPDE1CPDE6A
SCHEMBL6331935 0.79 PDE5A (0.60) PDE5APDE1APDE1BPDE1CPDE6A
SCHEMBL6334177 0.79 PDE5A (0.51) PDE5APDE1APDE1BPDE1CPDE6A

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
US-6943163-B2 7-Alkyl and cycloalkyl-substituted imidazotriazinones BAYER AKTIENGESELLSCHAFT (DE) 2005-09-13 US disclosed
US-20050049250-A1 7-Aikyl and cycloalkyl-substituted imidazotriazinones BAYER AKTIENGESELLSCHAFT (DE) 2005-03-03 US disclosed
US-6838459-B1 7-alkyl-and cycloalkyl-substituted imidazotriazinones BAYER AKTIENGESELLSCHAFT (DE) 2005-01-04 US disclosed
US-6476029-B1 7-alkyl- and cycloalkyl-substituted imidazotriazinones BAYER AKTIENGESELLSCHAFT (DE) 2002-11-05 US 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-20050049250-A1 7-Aikyl and cycloalkyl-substituted imidazotriazinones PDE3A, PDE2A, PDE3B PDE5A 6/4885PDE1A 35/4885PDE1B 66/4885

“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.