SCHEMBL3835985

SCHEMBL3835985

CCOc1ccc(S(=O)(=O)N2CCN(CCO)CC2)cc1-c1nc2c(C)cccc2c(=O)[nH]1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 20/20 0.68
PDE3B Q13370 2/20 0.68
PDE3A Q14432 2/20 0.68
PDE1A P54750 8/20 0.66
PDE1B Q01064 8/20 0.66
PDE1C Q14123 8/20 0.66
HDAC1 Q13547 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
PDE2A O00408 1/20 0.55
ABCC4 O15439 1/20 0.55
ABCC5 O15440 1/20 0.55
PDE6D O43924 1/20 0.55
PDE8A O60658 1/20 0.55
PDE9A O76083 1/20 0.55
ABCB11 O95342 1/20 0.55
CYP3A4 P08684 1/20 0.55
HTR1A P08908 1/20 0.55
PDE6A P16499 1/20 0.55
PDE6G P18545 1/20 0.55
PDE4A P27815 1/20 0.55

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
SCHEMBL3840535 0.94 PDE5A (0.68) PDE5APDE3BPDE3APDE1APDE1B
SCHEMBL7168287 0.91 PDE5A (0.67) PDE5APDE3BPDE3APDE1APDE1B
SCHEMBL3841161 0.89 PDE5A (0.64) PDE5APDE3BPDE3APDE1APDE1B
SCHEMBL7168383 0.88 PDE5A (0.66) PDE5APDE3BPDE3APDE1APDE1B
SCHEMBL9277180 0.88 PDE5A (0.64) PDE5APDE3BPDE3APDE1APDE1B
SCHEMBL7167327 0.87 PDE5A (0.66) PDE5APDE3BPDE3APDE1APDE1B
SCHEMBL6642736 0.82 PDE5A (0.76) PDE5APDE3BPDE3APDE1APDE1B
SCHEMBL6646085 0.82 PDE5A (0.75) PDE5APDE3BPDE3APDE1APDE1B
SCHEMBL3840503 0.81 PDE5A (0.72) PDE5APDE3BPDE3APDE1APDE1B
SCHEMBL3026814 0.81 PDE5A (0.63) PDE5APDE3BPDE3APDE1APDE1B

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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1365806-A2 USE OF NO ACTTIVATORS FOR TREATMENT AND PREVENTION OF GASTROINTESTINAL DISORDERS JOHNS HOPKINS UNIVERSITY (US) 2003-12-03 EP claimed
EP-0793498-B1 BICYCLIC HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF IMPOTENCE PFIZER LTD (GB) 2002-12-11 EP claimed
US-20020128171-A1 Methods for prevention and treatment of gastrointestinal disorders NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2002-09-12 US claimed
WO-2001078781-A9 METHODS FOR PREVENTION AND TREATMENT OF GASTROINTESTINAL DISORDERS UNIV JOHNS HOPKINS (US) 2002-07-25 WO claimed
WO-2001078781-A2 METHODS FOR PREVENTION AND TREATMENT OF GASTROINTESTINAL DISORDERS JOHNS HOPKINS UNIVERSITY (US) 2001-10-25 WO claimed
US-6225315-B1 ADMINISTERING A CGMP PDE INHIBITOR. PFIZER INC 2001-05-01 US claimed
EP-1022026-A2 Pharmaceutical compositions for treating nitrate-induced tolerance Pfizer Limited (GB) 2000-07-26 EP claimed
EP-0628032-B1 QUINAZOLINONE ANTIANGINAL AGENTS PFIZER LTD (GB) 1998-05-13 EP claimed
EP-0793498-A1 BICYCLIC HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF IMPOTENCE Pfizer Limited (GB) 1997-09-10 EP claimed
JP-2525126-B2 PFIZER 1996-08-14 JP claimed
WO-1996016657-A1 BICYCLIC HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF IMPOTENCE PFIZER LIMITED (GB) 1996-06-06 WO claimed
US-5482941-A Quinazolinone antianginal agents PFIZER INC. (US) 1996-01-09 US claimed
EP-0628032-A1 QUINAZOLINONE ANTIANGINAL AGENTS Pfizer Limited (GB) 1994-12-14 EP claimed
WO-1993012095-A1 QUINAZOLINONE ANTIANGINAL AGENTS PFIZER LIMITED (GB) 1993-06-24 WO claimed
EP-1331950-B1 EX VIVO METHODS AND COMPOSITIONS FOR NUCLEIC ACID DELIVERY UNIV JOHNS HOPKINS (US) 2009-10-14 EP disclosed
US-20070197560-A1 cGMP PDE 5 inhibitors for inhalation in the treatment of sexual dysfunction NAEF RETO 2007-08-23 US disclosed
US-6992070-B2 Methods and compositions for nucleic acid delivery THE JOHNS HOPKINS UNIVERSITY (US) 2006-01-31 US disclosed
US-5482941-A Quinazolinone antianginal agents PFIZER INC. (US) 1996-01-09 US disclosed
EP-0628032-A1 QUINAZOLINONE ANTIANGINAL AGENTS Pfizer Limited (GB) 1994-12-14 EP disclosed
WO-1993012095-A1 QUINAZOLINONE ANTIANGINAL AGENTS PFIZER LIMITED (GB) 1993-06-24 WO 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-20020128171-A1 Methods for prevention and treatment of gastrointestinal disorders VIP, GIPR, IAPP PDE5A 302/4885PDE3B 153/4885PDE3A 123/4885

“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.