SCHEMBL8075520

SCHEMBL8075520

N#C[C@@H]1CCCN1S(N)(=O)=O

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 16/20 0.41
DPP8 Q6V1X1 4/20 0.39
DPP9 Q86TI2 3/20 0.39
DPP7 Q9UHL4 1/20 0.38
PREP P48147 1/20 0.37

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
SCHEMBL4189191 1.00 DPP4 (0.41) DPP4DPP8DPP9DPP7PREP
SCHEMBL8085819 0.80 CA1 (0.33) DPP4DPP8
SCHEMBL4183223 0.80 CA1 (0.33) DPP4DPP8
SCHEMBL6298548 0.74 CA1 (0.39)
SCHEMBL16268315 0.72 CA1 (0.37)
SCHEMBL6963491 0.70 TRPA1 (0.62) DPP4DPP8DPP9DPP7
SCHEMBL21925715 0.69 PSEN1 (0.57)
SCHEMBL21925706 0.69 GAA (0.50)
SCHEMBL21925707 0.69 GAA (0.50)
SCHEMBL21925710 0.69 PSEN1 (0.57)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090047244-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS I IDENIX PHARMACEUTICALS, INC. (US) 2009-02-19 US disclosed
WO-2009014730-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2009-01-29 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-20090047244-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS I SERPINB1, SPINT2, PRSS1 DPP4 111/4885DPP8 90/4885DPP9 73/4885

“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.