SCHEMBL20306308

SCHEMBL20306308

CCOC(=O)[C@H](CCC#N)C[C@@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 10/20 0.56
▸ CTSK P43235 8/20 0.56
▸ MME P08473 5/20 0.50
▸ CTSB P07858 3/20 0.49
▸ CTSL P07711 1/20 0.49
▸ ATM Q13315 1/20 0.46
▸ SCN9A Q15858 1/20 0.44
▸ PTPN1 P18031 1/20 0.43
▸ APP P05067 1/20 0.42
▸ ACE P12821 1/20 0.41

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
SCHEMBL16941445 0.91 CTSS (0.58) CTSSCTSKMMECTSBCTSL
SCHEMBL18874682 0.89 MME (0.52) CTSSCTSKMMECTSBCTSL
SCHEMBL18874742 0.89 MME (0.53) CTSSCTSKMMECTSBCTSL
SCHEMBL11970064 0.86 MME (0.54) CTSSCTSKMMECTSBCTSL
SCHEMBL18411073 0.86 MME (0.54) CTSSCTSKMMECTSBCTSL
SCHEMBL11969730 0.86 MME (0.54) CTSSCTSKMMECTSBCTSL
SCHEMBL20099586 0.86 MME (0.55) CTSSCTSKMMECTSBCTSL
SCHEMBL18626431 0.85 CTSS (0.51) CTSSCTSKMMECTSBCTSL
SCHEMBL16941039 0.85 MME (0.69) CTSSCTSKMMECTSBCTSL
SCHEMBL20099592 0.85 MME (0.57) CTSSCTSKMMECTSBCTSL

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-10005740-B2 Neprilysin inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2018-06-26 — — 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-10005740-B2 Neprilysin inhibitors MME, REN, AGTR1 CTSS 91/4885CTSK 176/4885MME 1/4885

“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.

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