SCHEMBL9935042

SCHEMBL9935042

CC(C)OC(=O)C(O)CN(Cc1ccc(-c2cc(Cl)ccc2Cl)cc1)NC(=O)c1cn(O)nn1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 10/20 0.47
▸ ACE P12821 4/20 0.47
▸ MMEL1 Q495T6 4/20 0.37
▸ ALDH1A1 P00352 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ USP28 Q96RU2 2/20 0.32
▸ RORC P51449 1/20 0.32
▸ PTGER1 P34995 2/20 0.31

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
SCHEMBL9935035 1.00 MME (0.47) MMEACEMMEL1ALDH1A1L3MBTL1
SCHEMBL16198741 0.93 MME (0.44) MMEACEMMEL1ALDH1A1L3MBTL1
SCHEMBL20178521 0.93 MME (0.44) MMEACEMMEL1ALDH1A1L3MBTL1
SCHEMBL9934166 0.91 MME (0.55) MMEACEMMEL1ALDH1A1L3MBTL1
SCHEMBL9934169 0.91 MME (0.55) MMEACEMMEL1ALDH1A1L3MBTL1
SCHEMBL9934089 0.89 MME (0.51) MMEACEMMEL1ALDH1A1L3MBTL1
SCHEMBL9934094 0.89 MME (0.51) MMEACEMMEL1ALDH1A1L3MBTL1
SCHEMBL16198742 0.89 MME (0.46) MMEACEMMEL1ALDH1A1L3MBTL1
SCHEMBL9935480 0.87 MME (0.46) MMEACEMMEL1ALDH1A1L3MBTL1
SCHEMBL16198744 0.87 MME (0.49) MMEACEMMEL1ALDH1A1L3MBTL1

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
EP-2651900-B1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R & D IP LLC (US) 2015-08-19 — — EP 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 (1 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-20120157386-A1 NEPRILYSIN INHIBITORS MME, REN, ACE MME 1/4885ACE 3/4885MMEL1 237/4885

“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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