SCHEMBL9935855

SCHEMBL9935855

O=C(NN(Cc1ccc(-c2cc(Cl)ccc2F)cc1)C[C@@H](O)C(=O)O)c1cc(-c2cccc(Cl)c2)no1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 13/20 0.59
▸ ACE P12821 2/20 0.59
▸ CSGALNACT1 Q8TDX6 4/20 0.43
▸ MEN1 O00255 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ USP30 Q70CQ3 1/20 0.39
▸ LMNA P02545 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ THRB P10828 1/20 0.38

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
SCHEMBL9935861 1.00 MME (0.59) MMEACECSGALNACT1MEN1ALDH1A1
SCHEMBL9935443 0.95 MME (0.57) MMEACECSGALNACT1MEN1ALDH1A1
SCHEMBL9935440 0.95 MME (0.57) MMEACECSGALNACT1MEN1ALDH1A1
SCHEMBL9936016 0.91 MME (0.60) MMEACECSGALNACT1MEN1KMT2A
SCHEMBL9936010 0.91 MME (0.60) MMEACECSGALNACT1MEN1KMT2A
SCHEMBL9935602 0.89 MME (0.59) MMEACECSGALNACT1MEN1KMT2A
SCHEMBL9934668 0.89 MME (0.58) MMEACECSGALNACT1MEN1KMT2A
SCHEMBL9934673 0.89 MME (0.58) MMEACECSGALNACT1MEN1KMT2A
SCHEMBL9935607 0.89 MME (0.59) MMEACECSGALNACT1MEN1KMT2A
SCHEMBL9934387 0.88 MME (0.65) MMEACECSGALNACT1

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 3/4885CSGALNACT1 1670/4885
US-20160184316-A1 NEPRILYSIN INHIBITORS MME, REN, ACE MME 1/4885ACE 3/4885CSGALNACT1 1670/4885
US-20120157386-A1 NEPRILYSIN INHIBITORS MME, REN, ACE MME 1/4885ACE 3/4885CSGALNACT1 1670/4885
US-20170217959-A1 NEPRILYSIN INHIBITORS MME, REN, ACE MME 1/4885ACE 3/4885CSGALNACT1 1670/4885

“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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