SCHEMBL21650124

SCHEMBL21650124

CCOC(=O)C(CC(Cc1ccc(-c2ccccc2)cc1)NC(=O)OC(C)(C)C)OC(C)=O

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 4/20 0.50
▸ CTSK P43235 3/20 0.50
▸ ATM Q13315 1/20 0.49
▸ SCN9A Q15858 1/20 0.46
▸ MME P08473 6/20 0.46
▸ APP P05067 1/20 0.44
▸ MMEL1 Q495T6 1/20 0.43
▸ BCL2 P10415 1/20 0.43
▸ CTSB P07858 2/20 0.43
▸ CTSL P07711 1/20 0.43
▸ ACE P12821 3/20 0.43
▸ SYK P43405 1/20 0.42
▸ KLK5 Q9Y337 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
SCHEMBL9963895 1.00 CTSS (0.50) CTSSCTSKATMSCN9AMME
SCHEMBL18995171 0.90 CTSK (0.47) CTSSCTSKATMSCN9ABCL2
SCHEMBL9974741 0.85 MME (0.61) CTSSCTSKATMSCN9AMME
SCHEMBL597498 0.85 MME (0.54) CTSSCTSKATMSCN9AMME
SCHEMBL9974745 0.85 MME (0.61) CTSSCTSKATMSCN9AMME
SCHEMBL1231410 0.85 MME (0.54) CTSSCTSKATMSCN9AMME
SCHEMBL18597975 0.85 MME (0.61) CTSSCTSKATMSCN9AMME
SCHEMBL21572792 0.85 MME (0.54) CTSSCTSKATMSCN9AMME
SCHEMBL18576747 0.85 MME (0.54) CTSSCTSKATMSCN9AMME
SCHEMBL1232158 0.85 MME (0.54) CTSSCTSKATMSCN9AMME

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 CTSS 117/4885CTSK 178/4885ATM 4848/4885
US-20200031847-A1 NEPRILYSIN INHIBITORS MME, REN, ACE CTSS 117/4885CTSK 178/4885ATM 4848/4885

“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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