SCHEMBL18626431

SCHEMBL18626431

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

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 3/20 0.51
▸ CTSK P43235 2/20 0.51
▸ ATM Q13315 1/20 0.50
▸ MME P08473 10/20 0.49
▸ SCN9A Q15858 1/20 0.47
▸ ACE P12821 3/20 0.45
▸ APP P05067 2/20 0.45
▸ MMEL1 Q495T6 1/20 0.44
▸ BCL2 P10415 1/20 0.44
▸ CTSL P07711 1/20 0.43
▸ CTSB P07858 1/20 0.43
▸ SYK P43405 1/20 0.43

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
SCHEMBL11970064 0.91 MME (0.54) CTSSCTSKATMMMESCN9A
SCHEMBL18411073 0.91 MME (0.54) CTSSCTSKATMMMESCN9A
SCHEMBL11969730 0.91 MME (0.54) CTSSCTSKATMMMESCN9A
SCHEMBL16941445 0.89 CTSS (0.58) CTSSCTSKATMMMESCN9A
SCHEMBL16940999 0.89 MME (0.53) CTSSCTSKATMMMESCN9A
SCHEMBL16941047 0.89 MME (0.55) CTSSCTSKATMMMESCN9A
SCHEMBL18874742 0.89 MME (0.53) CTSSCTSKATMMMESCN9A
SCHEMBL18874682 0.87 MME (0.52) CTSSCTSKATMMMESCN9A
SCHEMBL1231410 0.86 MME (0.54) CTSSCTSKATMMMESCN9A
SCHEMBL597498 0.86 MME (0.54) CTSSCTSKATMMMESCN9A

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 5 patents. 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
US-20180118696-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2018-05-03 — — US disclosed
US-9783507-B2 Neprilysin inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2017-10-10 — — US disclosed
US-20170137388-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2017-05-18 — — US disclosed
US-9593110-B2 Neprilysin inhibitors Theravence Biopharma R&D IP, LLC (US) 2017-03-14 — — 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 (3 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 176/4885ATM 4852/4885
US-20180118696-A1 NEPRILYSIN INHIBITORS MME, REN, AGTR1 CTSS 91/4885CTSK 176/4885ATM 4852/4885
US-20170137388-A1 NEPRILYSIN INHIBITORS MME, REN, AGTR1 CTSS 91/4885CTSK 176/4885ATM 4852/4885

“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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