SCHEMBL6631741

SCHEMBL6631741

CCc1c2nc(-c3cc(S(C)(=O)=O)ccc3OCC(C)C)[nH]c(=O)c2nn1C[C@H]1CCCN1C

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 18/20 0.49
BRD4 O60885 2/20 0.41
PDE1A P54750 1/20 0.41
PDE1B Q01064 1/20 0.41
PDE1C Q14123 1/20 0.41

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
SCHEMBL6629280 0.88 PDE5A (0.52) PDE5APDE1APDE1BPDE1C
SCHEMBL6630506 0.83 PDE5A (0.58) PDE5A
SCHEMBL7079385 0.83 PDE5A (0.47) PDE5ABRD4
SCHEMBL6629928 0.82 PDE5A (0.55) PDE5APDE1APDE1BPDE1C
SCHEMBL6630240 0.80 PDE5A (0.53) PDE5ABRD4
SCHEMBL6628397 0.80 PDE5A (0.49) PDE5A
SCHEMBL6805069 0.80 PDE5A (0.52) PDE5A
SCHEMBL6629870 0.79 PDE5A (0.54) PDE5ABRD4
SCHEMBL6629467 0.79 PDE5A (0.57) PDE5A
SCHEMBL6629253 0.79 PDE5A (0.65) PDE5ABRD4

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 6 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 claimed
US-6770645-B2 SEXUAL DISORDERS THERAPY; ANTIALLERGENS; RESPIRATORY SYSTEM DISORDERS PFIZER INC. 2004-08-03 US claimed
US-20030064990-A1 Pharmaceutically active compounds PFIZER INC. 2003-04-03 US claimed
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 3960/4885PDE1A 50/4885

“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.