SCHEMBL6403393

SCHEMBL6403393

CCCOc1ccc(S(=O)(=O)N2CCN(C(N)=O)CC2C)cc1-c1nc2c(CCC)n(Cc3ccccn3)nc2c(=O)[nH]1

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 20/20 0.63
PDE6C P51160 3/20 0.51
PDE3B Q13370 2/20 0.48
PDE3A Q14432 2/20 0.48
PDE6D O43924 1/20 0.42
PDE6A P16499 1/20 0.42
PDE6G P18545 1/20 0.42
PDE6B P35913 1/20 0.42
PDE6H Q13956 1/20 0.42

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
SCHEMBL6403430 0.84 PDE5A (0.78) PDE5APDE6CPDE3BPDE3A
SCHEMBL7239860 0.84 PDE5A (0.71) PDE5APDE6CPDE3BPDE3A
SCHEMBL6333014 0.83 PDE5A (0.72) PDE5APDE6CPDE3BPDE3A
SCHEMBL6333001 0.83 PDE5A (0.80) PDE5APDE6CPDE3BPDE3APDE6D
SCHEMBL7248270 0.83 PDE5A (0.78) PDE5APDE6C
SCHEMBL7247373 0.82 PDE5A (0.71) PDE5APDE6C
SCHEMBL5595647 0.82 PDE5A (0.91) PDE5APDE6C
SCHEMBL5596504 0.81 PDE5A (0.80) PDE5APDE6CPDE3BPDE3A
Trifluoroacetic Acid SCHEMBL6332627 0.81 PDE5A (0.70) PDE5APDE6C
SCHEMBL7239340 0.81 PDE5A (0.68) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050239790-A1 Substituted hydroxyethylamine aspartyl protease inhibitors ELAN PHARMACEUTICALS, INC. 2005-10-27 US disclosed
US-20050239836-A1 Substituted hydroxyethylamine aspartyl protease inhibitors ELAN PHARMACEUTICALS, INC. 2005-10-27 US disclosed
US-6723719-B1 DYSMENORRHOEA, BENIGN PROSTATIC HYPERPLASIA (BPH), BLADDER OUTLET OBSTRUCTION, INCONTINENCE, AGINA, CONGESTIVE HEART FAILURE, ATHEROSCLEROSIS; HYPOTENSIVE AND ANTIALLERGEN AGENTS PFIZER INC 2004-04-20 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 (2 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-20050239790-A1 Substituted hydroxyethylamine aspartyl protease inhibitors DNPEP, MME, ANPEP PDE5A 3645/4885PDE6C 4802/4885PDE3B 4085/4885
US-20050239836-A1 Substituted hydroxyethylamine aspartyl protease inhibitors DNPEP, MME, ANPEP PDE5A 3645/4885PDE6C 4802/4885PDE3B 4085/4885

“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.