SCHEMBL6629928

SCHEMBL6629928

CCc1c2nc(-c3cc(S(C)(=O)=O)ccc3OCC(C)C)[nH]c(=O)c2nn1C1CCN(C)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 20/20 0.55
PDE2A O00408 1/20 0.45
ABCC4 O15439 1/20 0.45
ABCC5 O15440 1/20 0.45
PDE6D O43924 1/20 0.45
PDE8A O60658 1/20 0.45
PDE9A O76083 1/20 0.45
ABCB11 O95342 1/20 0.45
CYP3A4 P08684 1/20 0.45
HTR1A P08908 1/20 0.45
PDE6A P16499 1/20 0.45
PDE6G P18545 1/20 0.45
PDE4A P27815 1/20 0.45
ADORA2A P29274 1/20 0.45
ADORA1 P30542 1/20 0.45
ADRA1A P35348 1/20 0.45
PDE6B P35913 1/20 0.45
PDE6C P51160 1/20 0.45
PDE1A P54750 1/20 0.45
PDE1B Q01064 1/20 0.45

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
SCHEMBL6628397 0.93 PDE5A (0.49) PDE5A
SCHEMBL6805069 0.92 PDE5A (0.52) PDE5A
SCHEMBL6810957 0.91 PDE5A (0.50) PDE5A
SCHEMBL6631741 0.82 PDE5A (0.49) PDE5APDE1APDE1BPDE1C
SCHEMBL6630506 0.81 PDE5A (0.58) PDE5A
SCHEMBL7079385 0.81 PDE5A (0.47) PDE5A
SCHEMBL6630410 0.80 PDE5A (0.57) PDE5APDE6C
SCHEMBL314744 0.80 PDE5A (0.83) PDE5A
SCHEMBL6630240 0.78 PDE5A (0.53) PDE5APDE6C
SCHEMBL6629253 0.77 PDE5A (0.65) PDE5APDE6C

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 1/4885PDE2A 3/4885ABCC4 1552/4885

“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.