SCHEMBL9935607

SCHEMBL9935607

O=C(NN(Cc1ccc(-c2cccc(Cl)c2)cc1)CC(O)C(=O)O)c1cc(-c2ccccc2F)no1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 12/20 0.59
▸ ACE P12821 5/20 0.59
▸ TP53 P04637 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ CSGALNACT1 Q8TDX6 2/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ ADRB1 P08588 1/20 0.38
▸ ADRB3 P13945 1/20 0.38
▸ CTSA P10619 1/20 0.37

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
SCHEMBL9935602 1.00 MME (0.59) MMEACETP53MAPTNPC1
SCHEMBL9934666 0.92 MME (0.61) MMEACETP53NPC1CSGALNACT1
SCHEMBL9934663 0.92 MME (0.61) MMEACETP53NPC1CSGALNACT1
SCHEMBL9936010 0.92 MME (0.60) MMEACETP53MAPTNPC1
SCHEMBL9936016 0.92 MME (0.60) MMEACETP53MAPTNPC1
SCHEMBL9935861 0.89 MME (0.59) MMEACEMAPTCSGALNACT1MEN1
SCHEMBL9935855 0.89 MME (0.59) MMEACEMAPTCSGALNACT1MEN1
SCHEMBL9934786 0.88 MME (0.56) MMEACEMAPTCSGALNACT1CYP1A2
SCHEMBL9934783 0.88 MME (0.56) MMEACEMAPTCSGALNACT1CYP1A2
SCHEMBL9934668 0.87 MME (0.58) MMEACETP53MAPTNPC1

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-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
EP-2651900-A1 NEPRILYSIN INHIBITORS Theravance, Inc. (US) 2013-10-23 — — 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
WO-2012082857-A1 NEPRILYSIN INHIBITORS THERAVANCE, INC. (US) 2012-06-21 — — WO 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 (3 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 3/4885TP53 4398/4885
US-20120157386-A1 NEPRILYSIN INHIBITORS MME, REN, ACE MME 1/4885ACE 3/4885TP53 4398/4885
US-20170217959-A1 NEPRILYSIN INHIBITORS MME, REN, ACE MME 1/4885ACE 3/4885TP53 4398/4885

“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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