SCHEMBL24307697

SCHEMBL24307697

CCCOc1ccc(S(=O)(=O)N2CCC(CCONO)CC2)cc1-c1nc2c(CCC)c(/C=N/O)n(C)c2c(=O)[nH]1

nearest known ligand 0.78

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 20/20 0.78
HDAC1 Q13547 1/20 0.55
HDAC2 Q92769 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
PDE3B Q13370 1/20 0.55
PDE3A Q14432 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
SCHEMBL20568227 0.93 PDE5A (0.87) PDE5APDE3BPDE3A
SCHEMBL20568229 0.93 PDE5A (0.87) PDE5APDE3BPDE3A
SCHEMBL22066540 0.91 PDE5A (0.82) PDE5APDE3BPDE3A
SCHEMBL20567814 0.90 PDE5A (0.94) PDE5A
SCHEMBL22028314 0.90 PDE5A (0.94) PDE5A
SCHEMBL20567813 0.90 PDE5A (0.94) PDE5A
SCHEMBL31651388 0.90 PDE5A (0.94) PDE5A
SCHEMBL22066556 0.90 PDE5A (0.71) PDE5AHDAC1HDAC2HDAC6PDE3B
SCHEMBL22028295 0.89 PDE5A (0.84) PDE5AHDAC1HDAC2HDAC6PDE3B
SCHEMBL22028296 0.89 PDE5A (0.84) PDE5AHDAC1HDAC2HDAC6PDE3B

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-20220073529-A1 DUAL MODE OF ACTION SOLUBLE GUANYLATE CYCLASE ACTIVATORS AND PHOSPHODIESTERASE INHIBITORS AND USES THEREOF TOPADUR PHARMA AG (CH) 2022-03-10 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-20220073529-A1 DUAL MODE OF ACTION SOLUBLE GUANYLATE CYCLASE ACTIVATORS AND PHOSPHODIESTERASE INHIBITORS AND USES THEREOF PDE5A, PDE1A, PDE2A PDE5A 1/4885HDAC1 919/4885HDAC2 1160/4885

“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.