SCHEMBL6631340

SCHEMBL6631340

CCCOc1ccc(S(C)(=O)=O)cc1-c1nc(OC)c2nn(CCN(C(C)C)C(C)C)c(CC)c2n1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 16/20 0.37
BRD4 O60885 1/20 0.36
CA12 O43570 2/20 0.34
CA9 Q16790 2/20 0.34
PDE6C P51160 1/20 0.34
PDE11A Q9HCR9 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
TYR P14679 1/20 0.33

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
SCHEMBL6630586 0.86 BRD4 (0.37) PDE5ABRD4CA12CA9PDE6C
SCHEMBL6628992 0.82 PDE5A (0.54) PDE5APDE6CPDE11A
SCHEMBL6630217 0.72 POLB (0.51) PDE5APDE6CPDE11A
SCHEMBL6806678 0.71 PDE5A (0.38) PDE5ABRD4PDE6CPDE11A
SCHEMBL6629353 0.68 PDE5A (0.56) PDE5A
SCHEMBL6631560 0.66 PDE5A (0.39) PDE5ABRD4PDE6CPDE11A
SCHEMBL6629467 0.66 PDE5A (0.57) PDE5APDE6CPDE11A
SCHEMBL6804395 0.63 PDE5A (0.42) PDE5ABRD4PDE6CPDE11A
SCHEMBL6629898 0.63 PDE5A (0.62) PDE5ABRD4
SCHEMBL6630506 0.61 PDE5A (0.58) PDE5A

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
EP-1368352-B1 CYCLIC GUANOSINE 3',5'-MONOPHOSPHATE PHOSPHODIESTERASE INHIBITORS PFIZER LTD (GB) 2004-12-01 EP disclosed
US-6770645-B2 SEXUAL DISORDERS THERAPY; ANTIALLERGENS; RESPIRATORY SYSTEM DISORDERS PFIZER INC. 2004-08-03 US disclosed
US-20030064990-A1 Pharmaceutically active compounds PFIZER INC. 2003-04-03 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-20030064990-A1 Pharmaceutically active compounds PDE5A, PDE3A, PDE2A PDE5A 1/4885BRD4 3960/4885CA12 3938/4885

“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.