SCHEMBL676551

SCHEMBL676551

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nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 11/20 0.45
CTSD P07339 3/20 0.45
FURIN P09958 1/20 0.42
PDCD1LG2 Q9BQ51 1/20 0.39
CD274 Q9NZQ7 1/20 0.39

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
SCHEMBL30361652 0.96 BACE1 (0.45) BACE1CTSDFURINPDCD1LG2CD274
SCHEMBL32690572 0.92 BACE1 (0.43) BACE1CTSDFURIN
SCHEMBL6117674 0.89 FURIN (0.40) BACE1CTSDFURIN
SCHEMBL2467105 0.89 FURIN (0.40) BACE1CTSDFURIN
SCHEMBL7922664 0.88 CTSD (0.41) BACE1CTSDFURIN
SCHEMBL7922670 0.88 CTSD (0.41) BACE1CTSDFURIN
SCHEMBL29404549 0.88 ACE (0.46) FURIN
SCHEMBL32690573 0.87 BACE1 (0.49) BACE1CTSD
SCHEMBL32690445 0.87 BACE1 (0.46) BACE1CTSD
SCHEMBL29527624 0.87 ACE (0.43) FURIN

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-8541456-B2 Roflumilast for the treatment of diabetes mellitus type 2 TAKEDA GMBH (DE) 2013-09-24 US disclosed
US-20110269750-A1 ROFLUMILAST FOR THE TREATMENT OF DIABETES MELLITUS NYCOMED GMBH (DE) 2011-11-03 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-20110269750-A1 ROFLUMILAST FOR THE TREATMENT OF DIABETES MELLITUS PPARD, PPARA, PPARG BACE1 4076/4885CTSD 1691/4885FURIN 3161/4885

“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.