SCHEMBL2033330

SCHEMBL2033330

CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1nc(=O)c2c([nH]1)c(CCCO)nn2C

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 20/20 0.66
PDE3B Q13370 4/20 0.66
PDE3A Q14432 4/20 0.66
PDE1A P54750 4/20 0.66
PDE1B Q01064 4/20 0.66
PDE1C Q14123 4/20 0.66
ABCC4 O15439 2/20 0.66
PDE4B Q07343 2/20 0.66
PDE2A O00408 1/20 0.66
ABCC5 O15440 1/20 0.66
PDE6D O43924 1/20 0.66
PDE8A O60658 1/20 0.66
PDE9A O76083 1/20 0.66
ABCB11 O95342 1/20 0.66
CYP3A4 P08684 1/20 0.66
HTR1A P08908 1/20 0.66
PDE6A P16499 1/20 0.66
PDE6G P18545 1/20 0.66
PDE4A P27815 1/20 0.66
ADORA2A P29274 1/20 0.66

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
Sildenafil SCHEMBL492566 0.92 PDE5A (0.77) PDE5APDE3BPDE3APDE1APDE1B
SCHEMBL18912665 0.91 PDE5A (0.68) PDE5APDE3BPDE3APDE1APDE1B
Lodenafil SCHEMBL18416781 0.89 PDE5A (0.78) PDE5APDE3BPDE3APDE1APDE1B
SCHEMBL12341666 0.86 PDE5A (0.65) PDE5APDE3BPDE3APDE1APDE1B
SCHEMBL19254528 0.86 PDE5A (0.78) PDE5APDE3BPDE3APDE1APDE1B
Sildenafil SCHEMBL1652668 0.85 PDE5A (0.81) PDE5APDE3BPDE3APDE1APDE1B
SCHEMBL19518061 0.85 PDE5A (0.77) PDE5APDE3BPDE3APDE1APDE1B
SCHEMBL30199978 0.84 PDE5A (0.74) PDE5APDE3BPDE3APDE1APDE1B
SCHEMBL18912667 0.84 PDE5A (0.65) PDE5APDE3BPDE3APDE1APDE1B
SCHEMBL13633773 0.84 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9943518-B2 Inhibitors of phosphodiesterase type 5A for reducing skeletal muscle fatigue, edema, and damage in a patient having muscle fatigue due to increased age or exercise UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2018-04-17 US disclosed
US-20160263118-A1 Inhibitors of Phosphodiesterase Type 5A for Treating or Preventing Muscle Disease or the Symptoms Thereof in a Patient UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2016-09-15 US disclosed
US-9387210-B2 Inhibitors of phosphodiesterase type 5A for treating or preventing muscle disease or the symptoms thereof in a patient UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2016-07-12 US disclosed
US-20140005202-A1 Inhibitors of Phosphodiesterase Type 5A for Treating or Preventing Muscle Disease or the Symptoms Thereof in a Patient UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2014-01-02 US disclosed
US-20110160219-A1 Inhibitors of Phosphodiesterase Type 5A for Treating or Preventing Muscle Disease or the Symptoms Thereof in a Patient UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2011-06-30 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 (3 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-20110160219-A1 Inhibitors of Phosphodiesterase Type 5A for Treating or Preventing Muscle Disease or the Symptoms Thereof in a Patient PDE5A, PDE3A, PDE2A PDE5A 1/4885PDE3B 4/4885PDE3A 2/4885
US-20160263118-A1 Inhibitors of Phosphodiesterase Type 5A for Treating or Preventing Muscle Disease or the Symptoms Thereof in a Patient PDE5A, PDE3A, PDE2A PDE5A 1/4885PDE3B 4/4885PDE3A 2/4885
US-20140005202-A1 Inhibitors of Phosphodiesterase Type 5A for Treating or Preventing Muscle Disease or the Symptoms Thereof in a Patient PDE5A, PDE3A, PDE2A PDE5A 1/4885PDE3B 4/4885PDE3A 2/4885

“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.