SCHEMBL24239289

SCHEMBL24239289

CCOc1ccc(S(=O)(=O)N2CCC(C(O)(CCO)CCO[N+](=O)[O-])CC2)cc1-c1nc2c(CC)nn(C)c2c(=O)[nH]1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 20/20 0.60
PDE3B Q13370 4/20 0.60
PDE3A Q14432 4/20 0.60
HDAC1 Q13547 1/20 0.58
HDAC2 Q92769 1/20 0.58
HDAC6 Q9UBN7 1/20 0.58
PDE1A P54750 2/20 0.58
PDE1B Q01064 2/20 0.58
PDE1C Q14123 2/20 0.58
ABCC4 O15439 2/20 0.58
PDE2A O00408 1/20 0.58
ABCC5 O15440 1/20 0.58
PDE6D O43924 1/20 0.58
PDE8A O60658 1/20 0.58
PDE9A O76083 1/20 0.58
ABCB11 O95342 1/20 0.58
CYP3A4 P08684 1/20 0.58
HTR1A P08908 1/20 0.58
PDE6A P16499 1/20 0.58
PDE6G P18545 1/20 0.58

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
SCHEMBL31064808 0.95 PDE5A (0.68) PDE5APDE3BPDE3AHDAC1HDAC2
SCHEMBL21995243 0.95 PDE5A (0.68) PDE5APDE3BPDE3AHDAC1HDAC2
SCHEMBL31064951 0.93 PDE5A (0.71) PDE5APDE3BPDE3AHDAC1HDAC2
SCHEMBL21995695 0.93 PDE5A (0.71) PDE5APDE3BPDE3AHDAC1HDAC2
SCHEMBL22041043 0.88 PDE5A (0.76) PDE5APDE3BPDE3AHDAC1HDAC2
SCHEMBL22041432 0.83 PDE5A (0.75) PDE5APDE3BPDE3AHDAC1HDAC2
SCHEMBL31064934 0.83 PDE5A (0.67) PDE5APDE3BPDE3APDE1APDE1B
SCHEMBL22041083 0.83 PDE5A (0.53) PDE5APDE3BPDE3AHDAC1HDAC2
SCHEMBL21995314 0.83 PDE5A (0.67) PDE5APDE3BPDE3APDE1APDE1B
SCHEMBL22043079 0.82 PDE5A (0.74) PDE5APDE3BPDE3AHDAC1HDAC2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220031704-A1 NOVEL DUAL MODE OF ACTION SOLUBLE GUANYLATE CYCLASE ACTIVATORS AND PHOSPHODIESTERASE INHIBITORS AND USES THEREOF TOPADUR PHARMA AG (CH) 2022-02-03 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-20220031704-A1 NOVEL DUAL MODE OF ACTION SOLUBLE GUANYLATE CYCLASE ACTIVATORS AND PHOSPHODIESTERASE INHIBITORS AND USES THEREOF PDE9A, PDE5A, PDE2A PDE5A 2/4885PDE3B 8/4885PDE3A 4/4885

“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.