SCHEMBL21650117

SCHEMBL21650117

CC(C)(C)OC(=O)N[C@H](CCc1ccc(-c2ccccc2)cc1)C(=O)C1C(=O)OC(C)(C)OC1=O

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 6/20 0.50
▸ CTSS P25774 6/20 0.50
▸ SCN9A Q15858 1/20 0.46
▸ PPARA Q07869 5/20 0.44
▸ PPARG P37231 4/20 0.42
▸ IDO1 P14902 1/20 0.41
▸ CTSB P07858 2/20 0.41
▸ BCL2 P10415 1/20 0.41
▸ PPARD Q03181 2/20 0.40
▸ CTSL P07711 1/20 0.40
▸ CCKAR P32238 1/20 0.39
▸ CCKBR P32239 1/20 0.39
▸ HDAC4 P56524 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ ACE P12821 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
SCHEMBL18922323 0.90 CTSS (0.42) CTSKCTSSSCN9APPARAPPARG
SCHEMBL9963890 0.90 CTSS (0.56) CTSKCTSSSCN9ACTSBBCL2
SCHEMBL20734850 0.85 CTSS (0.54) CTSKCTSSSCN9ACTSBCTSL
SCHEMBL22154195 0.85 CTSS (0.54) CTSKCTSSSCN9ACTSBCTSL
SCHEMBL19573812 0.83 CTSK (0.45) CTSKCTSSSCN9APPARAPPARG
SCHEMBL20113130 0.83 CTSK (0.51) CTSKCTSSSCN9APPARAPPARG
SCHEMBL30186155 0.81 CTSK (0.46) CTSKCTSSIDO1CTSL
SCHEMBL30186152 0.81 CTSK (0.46) CTSKCTSSIDO1CTSL
SCHEMBL29105872 0.81 CTSK (0.46) CTSKCTSSIDO1CTSL
SCHEMBL18597844 0.81 CTSS (0.47) CTSKCTSSSCN9ACTSBBCL2

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-10759813-B2 Neprilysin inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2020-09-01 — — US disclosed
US-20200031847-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2020-01-30 — — 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 (2 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-10759813-B2 Neprilysin inhibitors MME, REN, ACE CTSK 178/4885CTSS 117/4885SCN9A 596/4885
US-20200031847-A1 NEPRILYSIN INHIBITORS MME, REN, ACE CTSK 178/4885CTSS 117/4885SCN9A 596/4885

“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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