SCHEMBL9936246

SCHEMBL9936246

O=C(NN(Cc1ccc(-c2cc(Cl)ccc2O)cc1)C[C@H](O)C(=O)O)c1cc(O)no1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 13/20 0.53
▸ ACE P12821 2/20 0.53
▸ SMPD1 P17405 1/20 0.34
▸ CSGALNACT1 Q8TDX6 2/20 0.34
▸ HSP90AA1 P07900 3/20 0.33
▸ HSP90AB1 P08238 3/20 0.33
▸ CDK1 P06493 1/20 0.32

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
SCHEMBL9936259 1.00 MME (0.53) MMEACESMPD1CSGALNACT1HSP90AA1
SCHEMBL9936118 0.93 MME (0.53) MMEACESMPD1CSGALNACT1
SCHEMBL9936122 0.93 MME (0.53) MMEACESMPD1CSGALNACT1
SCHEMBL9935027 0.92 MME (0.64) MMEACECSGALNACT1
SCHEMBL9935018 0.92 MME (0.64) MMEACECSGALNACT1
SCHEMBL9934615 0.91 MME (0.56) MMEACECSGALNACT1
SCHEMBL9934628 0.91 MME (0.56) MMEACECSGALNACT1
SCHEMBL9934764 0.90 MME (0.46) MMEACECSGALNACT1HSP90AA1HSP90AB1
SCHEMBL9934778 0.90 MME (0.46) MMEACECSGALNACT1HSP90AA1HSP90AB1
SCHEMBL15324876 0.89 MME (0.46) MMEACESMPD1HSP90AA1HSP90AB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9873696-B2 Neprilysin inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2018-01-23 — — US disclosed
US-20170217959-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2017-08-03 — — US disclosed
US-9555041-B2 Neprilysin inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2017-01-31 — — US disclosed
US-20160184316-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2016-06-30 — — US disclosed
US-9120758-B2 Neprilysin inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-09-01 — — US disclosed
EP-2651900-B1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R & D IP LLC (US) 2015-08-19 — — EP disclosed
US-20140011997-A1 NEPRILYSIN INHIBITORS THERAVANCE, INC. (US) 2014-01-09 — — US disclosed
US-8563512-B2 Neprilysin inhibitors THERAVANCE, INC. (US) 2013-10-22 — — US disclosed
US-20120157386-A1 NEPRILYSIN INHIBITORS THERAVANCE, INC. (US) 2012-06-21 — — 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 (4 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-20140011997-A1 NEPRILYSIN INHIBITORS MME, REN, ACE MME 1/4885ACE 3/4885SMPD1 270/4885
US-20160184316-A1 NEPRILYSIN INHIBITORS MME, REN, ACE MME 1/4885ACE 3/4885SMPD1 270/4885
US-20120157386-A1 NEPRILYSIN INHIBITORS MME, REN, ACE MME 1/4885ACE 3/4885SMPD1 270/4885
US-20170217959-A1 NEPRILYSIN INHIBITORS MME, REN, ACE MME 1/4885ACE 3/4885SMPD1 270/4885

“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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