SCHEMBL19788093

SCHEMBL19788093

COc1ccccc1-c1ccc(C[C@H](CC(C)(CCO)C(=O)O)NC(=O)c2c[nH]nn2)cc1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MME P08473 14/20 0.47
MMEL1 Q495T6 1/20 0.46
ACE P12821 2/20 0.44
ROCK2 O75116 3/20 0.42
ROCK1 Q13464 3/20 0.42
ITGB1 P05556 2/20 0.41
ITGA4 P13612 2/20 0.41
ITGB7 P26010 1/20 0.41
SLC13A5 Q86YT5 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
SCHEMBL19687840 0.93 MME (0.55) MMEMMEL1ACEROCK2ROCK1
SCHEMBL15467560 0.93 MME (0.55) MMEMMEL1ACEROCK2ROCK1
SCHEMBL24350595 0.90 MME (0.49) MMEACE
SCHEMBL19788114 0.90 MME (0.49) MMEACE
SCHEMBL19788068 0.89 MME (0.50) MMEACE
SCHEMBL26380748 0.85 MME (0.47) MMEACE
SCHEMBL19788049 0.84 MME (0.54) MMEMMEL1ACE
SCHEMBL19688089 0.83 MME (0.50) MMEMMEL1ACE
SCHEMBL15202178 0.83 MME (0.66) MMEMMEL1ACE
SCHEMBL11969744 0.83 MME (0.66) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11124502-B2 Neprilysin inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2021-09-21 US disclosed
US-20200283422-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2020-09-10 US disclosed
US-9873685-B2 Neprilysin inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2018-01-23 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 (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-20200283422-A1 NEPRILYSIN INHIBITORS MME, REN, ACE MME 1/4885MMEL1 240/4885ACE 3/4885
US-11124502-B2 Neprilysin inhibitors MME, REN, ACE MME 1/4885MMEL1 240/4885ACE 3/4885

“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.