SCHEMBL6314197

SCHEMBL6314197

CCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1cc2c([nH]1)c(=O)n(C)c(=O)n2CCC

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 17/20 0.54
ADORA2B P29275 2/20 0.50
ADORA3 P0DMS8 1/20 0.50
ADORA1 P30542 1/20 0.50
MAPT P10636 1/20 0.50
PDE3B Q13370 2/20 0.47
PDE3A Q14432 2/20 0.47

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
SCHEMBL6304667 0.94 PDE5A (0.61) PDE5AADORA2BADORA3ADORA1PDE3B
SCHEMBL6313641 0.92 PDE5A (0.56) PDE5AADORA2BADORA3ADORA1PDE3B
SCHEMBL4055148 0.92 PDE5A (0.64) PDE5APDE3BPDE3A
SCHEMBL4715352 0.90 PDE5A (0.65) PDE5AADORA2BADORA3ADORA1PDE3B
SCHEMBL6311874 0.89 PDE5A (0.61) PDE5APDE3BPDE3A
SCHEMBL6307678 0.88 PDE5A (0.66) PDE5AADORA2BADORA3ADORA1PDE3B
SCHEMBL6314283 0.87 PDE5A (0.53) PDE5AMAPT
SCHEMBL6305289 0.87 PDE5A (0.61) PDE5AADORA2BADORA3ADORA1PDE3B
SCHEMBL6312474 0.86 PDE5A (0.58) PDE5AADORA2BADORA3ADORA1
SCHEMBL6305175 0.86 PDE5A (0.72) PDE5AADORA2BADORA3ADORA1PDE3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6943253-B2 6-phenylpyrrolopyrimidinedione derivatives ALMIRALL PRODESFARMA S.A. (ES) 2005-09-13 US disclosed
EP-1286997-B1 6-PHENYLPYRROLOPYRIMIDINEDIONE DERIVATIVES ALMIRALL PRODESFARMA SA (ES) 2004-08-18 EP disclosed
US-20030232838-A1 Nitrogen compounds such as 3-Methyl-6-(5-(4-methylpiperazine-1-sulphonyl)-2-propoxyphenyl)-1-propyl-1,5-dihydropyrrolo(3,2-d)pyrimidine-2,4-dione, used for prophylaxis of cardiovascular disorders PARALLEL WIRELESS, INC. 2003-12-18 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-20030232838-A1 Nitrogen compounds such as 3-Methyl-6-(5-(4-methylpiperazine-1-sulphonyl)-2-propoxyphenyl)-1-propyl-1,5-dihydropyrrolo(3,2-d)pyrimidine-2,4-dione, used for prophylaxis of cardiovascular disorders PDE5A, PDE2A, PDE3A PDE5A 1/4885ADORA2B 641/4885ADORA3 605/4885

“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.