SCHEMBL18409014

SCHEMBL18409014

CCOC(=O)[C@H](O)C[C@H](CCc1ccc(-c2ccccc2)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 6/20 0.50
▸ CTSS P25774 2/20 0.50
▸ MME P08473 3/20 0.49
▸ SYK P43405 1/20 0.43
▸ ATM Q13315 1/20 0.43
▸ SCN9A Q15858 1/20 0.43
▸ PPARA Q07869 2/20 0.41
▸ PPARG P37231 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ ACE P12821 2/20 0.41
▸ MMP2 P08253 1/20 0.41
▸ MMP3 P08254 1/20 0.41
▸ KLK5 Q9Y337 1/20 0.40

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
SCHEMBL19573703 1.00 CTSK (0.50) CTSKCTSSMMESYKATM
SCHEMBL9974745 0.89 MME (0.61) CTSKCTSSMMEATMSCN9A
SCHEMBL9974741 0.89 MME (0.61) CTSKCTSSMMEATMSCN9A
SCHEMBL18597975 0.89 MME (0.61) CTSKCTSSMMEATMSCN9A
SCHEMBL9963896 0.89 MME (0.61) CTSKCTSSMMEATMSCN9A
SCHEMBL18995171 0.86 CTSK (0.47) CTSKCTSSSYKATMSCN9A
SCHEMBL19605638 0.80 CTSK (0.63) CTSKCTSSMMEPPARAPPARG
SCHEMBL22651626 0.80 CTSK (0.63) CTSKCTSSMMEPPARAPPARG
SCHEMBL344068 0.80 CTSK (0.63) CTSKCTSSMMEPPARAPPARG
SCHEMBL18576747 0.79 MME (0.54) CTSKCTSSMMEATMSCN9A

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 3 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-9688692-B2 Neprilysin inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2017-06-27 — — US disclosed
US-20170022219-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2017-01-26 — — 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 (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-20170022219-A1 NEPRILYSIN INHIBITORS MME, REN, ACE CTSK 178/4885CTSS 117/4885MME 1/4885
US-10005740-B2 Neprilysin inhibitors MME, REN, AGTR1 CTSK 176/4885CTSS 91/4885MME 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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