SCHEMBL19718236

SCHEMBL19718236

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

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 8/20 0.47
▸ CTSS P25774 1/20 0.42
▸ CTSK P43235 1/20 0.42
▸ CA2 P00918 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ ABCB1 P08183 1/20 0.38
▸ ACE P12821 5/20 0.38
▸ ACE2 Q9BYF1 1/20 0.38
▸ KLK5 Q9Y337 1/20 0.38
▸ MMP8 P22894 1/20 0.38
▸ SCN9A Q15858 1/20 0.37
▸ SRR Q9GZT4 1/20 0.37
▸ PSAT1 Q9Y617 1/20 0.37

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
SCHEMBL19718237 1.00 MME (0.47) MMECTSSCTSKCA2CA9
SCHEMBL9974745 0.79 MME (0.61) MMECTSSCTSKACESCN9A
SCHEMBL9963896 0.79 MME (0.61) MMECTSSCTSKACESCN9A
SCHEMBL18597975 0.79 MME (0.61) MMECTSSCTSKACESCN9A
SCHEMBL9974741 0.79 MME (0.61) MMECTSSCTSKACESCN9A
SCHEMBL9963897 0.77 MME (0.57) MMEACEACE2
SCHEMBL2875959 0.77 MME (0.44) MMECTSSCTSKCA2CA9
SCHEMBL20376371 0.77 MME (0.42) MMECTSSCTSKCA2CA9
SCHEMBL6177689 0.76 ATM (0.48) CTSSCTSKCA2CA9ABCB1
SCHEMBL9966297 0.76 MME (0.53) MMECTSKACEMMP8SRR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180194776-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2018-07-12 — — US disclosed
US-9845332-B2 Neprilysin inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2017-12-19 — — US disclosed
US-9845332-B2 Neprilysin inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2017-12-19 — — US disclosed
US-20170320895-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2017-11-09 — — 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-20170320895-A1 NEPRILYSIN INHIBITORS MME, REN, ACE MME 1/4885CTSS 117/4885CTSK 178/4885
US-20180194776-A1 NEPRILYSIN INHIBITORS MME, REN, ACE MME 1/4885CTSS 117/4885CTSK 178/4885

“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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