SCHEMBL11969144

SCHEMBL11969144

CC(C)(CC(Cc1ccc(-c2ccccc2)cc1)NC(=O)c1cnc(O)nc1)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 18/20 0.61
▸ MMEL1 Q495T6 3/20 0.54
▸ ACE P12821 1/20 0.50
▸ ROCK2 O75116 1/20 0.45
▸ RPS6KA5 O75582 1/20 0.45
▸ RPS6KA4 O75676 1/20 0.45
▸ PRKACA P17612 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ GSK3A P49840 1/20 0.45
▸ GSK3B P49841 1/20 0.45
▸ IRAK1 P51617 1/20 0.45
▸ PRKX P51817 1/20 0.45
▸ ROCK1 Q13464 1/20 0.45
▸ PRKG1 Q13976 1/20 0.45
▸ PKN2 Q16513 1/20 0.45
▸ CLK4 Q9HAZ1 1/20 0.45
▸ SGK2 Q9HBY8 1/20 0.45

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
SCHEMBL11969136 1.00 MME (0.61) MMEMMEL1ACEROCK2RPS6KA5
SCHEMBL13738577 0.90 MMEL1 (0.53) MMEMMEL1ACEROCK2RPS6KA5
SCHEMBL11969256 0.90 MMEL1 (0.53) MMEMMEL1ACEROCK2RPS6KA5
SCHEMBL11969037 0.90 MMEL1 (0.53) MMEMMEL1ACEROCK2RPS6KA5
SCHEMBL11969499 0.89 MME (0.67) MMEMMEL1ACE
SCHEMBL2875042 0.83 MMEL1 (0.72) MMEMMEL1ROCK2RPS6KA5RPS6KA4
SCHEMBL2875047 0.83 MMEL1 (0.72) MMEMMEL1ROCK2RPS6KA5RPS6KA4
SCHEMBL12317289 0.81 MME (0.68) MMEMMEL1ACE
SCHEMBL11969633 0.80 MME (0.59) MMEMMEL1ACE
SCHEMBL11969638 0.80 MME (0.59) MMEMMEL1ACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180051023-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2018-02-22 — — US disclosed
US-9725448-B2 Neprilysin inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2017-08-08 — — US disclosed
US-20170066764-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2017-03-09 — — US disclosed
US-9487514-B2 Neprilysin inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2016-11-08 — — US disclosed
EP-2675792-B1 SUBSTITUTED AMINOBUTYRIC DERIVATIVES AS NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP LLC (US) 2016-01-06 — — EP disclosed
US-20150133658-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-05-14 — — US disclosed
US-8846913-B2 Neprilysin inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2014-09-30 — — US disclosed
EP-2675792-A1 SUBSTITUTED AMINOBUTYRIC DERIVATIVES AS NEPRILYSIN INHIBITORS Theravance, Inc. (US) 2013-12-25 — — EP disclosed
US-20130245260-A1 NEPRILYSIN INHIBITORS THERAVANCE, INC. (US) 2013-09-19 — — US disclosed
US-8449890-B2 Neprilysin inhibitors THERAVANCE, INC. (US) 2013-05-28 — — US disclosed
WO-2012154249-A1 SUBSTITUTED AMINOBUTYRIC DERIVATIVES AS NEPRILYSIN INHIBITORS THERAVANCE, INC. (US) 2012-11-15 — — WO disclosed
US-20120213807-A1 NEPRILYSIN INHIBITORS THERAVANCE, INC. (US) 2012-08-23 — — 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 (5 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-20150133658-A1 NEPRILYSIN INHIBITORS MME, REN, EDNRB MME 1/4885MMEL1 322/4885ACE 5/4885
US-20120213807-A1 NEPRILYSIN INHIBITORS MME, REN, EDNRB MME 1/4885MMEL1 322/4885ACE 5/4885
US-20170066764-A1 NEPRILYSIN INHIBITORS MME, REN, EDNRB MME 1/4885MMEL1 322/4885ACE 5/4885
US-20130245260-A1 NEPRILYSIN INHIBITORS MME, REN, EDNRB MME 1/4885MMEL1 322/4885ACE 5/4885
US-20180051023-A1 NEPRILYSIN INHIBITORS MME, REN, EDNRB MME 1/4885MMEL1 322/4885ACE 5/4885

“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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