SCHEMBL9934493

SCHEMBL9934493

O=C(NN(Cc1ccc(-c2cccc(Cl)c2)cc1F)CC(O)C(=O)O)c1nnn[nH]1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 12/20 0.50
▸ ACE P12821 6/20 0.50
▸ MMEL1 Q495T6 4/20 0.36
▸ ALDH2 P05091 1/20 0.35
▸ ADRB1 P08588 1/20 0.34
▸ ADRB3 P13945 1/20 0.34
▸ SLC2A1 P11166 1/20 0.34
▸ HTR2C P28335 1/20 0.33
▸ HTR2B P41595 1/20 0.33

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
SCHEMBL9934483 1.00 MME (0.50) MMEACEMMEL1ALDH2ADRB1
SCHEMBL9935638 0.88 MME (0.66) MMEACEMMEL1
SCHEMBL9935618 0.88 MME (0.66) MMEACEMMEL1
SCHEMBL9934167 0.81 MME (0.63) MMEACE
SCHEMBL9934176 0.81 MME (0.63) MMEACE
SCHEMBL9935200 0.80 MME (0.52) MMEACEMMEL1
SCHEMBL9935182 0.80 MME (0.52) MMEACEMMEL1
SCHEMBL9934095 0.79 MME (0.52) MMEACEADRB1ADRB3
SCHEMBL9934086 0.79 MME (0.52) MMEACEADRB1ADRB3
SCHEMBL9934642 0.78 MME (0.53) MMEACEMMEL1

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 3/4885MMEL1 237/4885
US-20160184316-A1 NEPRILYSIN INHIBITORS MME, REN, ACE MME 1/4885ACE 3/4885MMEL1 237/4885
US-20120157386-A1 NEPRILYSIN INHIBITORS MME, REN, ACE MME 1/4885ACE 3/4885MMEL1 237/4885
US-20170217959-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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