SCHEMBL9934786

SCHEMBL9934786

COc1ccccc1-c1cc(C(=O)NN(Cc2ccc(-c3cccc(Cl)c3)cc2)CC(O)C(=O)O)on1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 11/20 0.56
▸ ACE P12821 2/20 0.56
▸ CSGALNACT1 Q8TDX6 1/20 0.39
▸ ADRB1 P08588 1/20 0.39
▸ ADRB3 P13945 1/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ THRB P10828 1/20 0.38

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
SCHEMBL9934783 1.00 MME (0.56) MMEACECSGALNACT1ADRB1ADRB3
SCHEMBL9934666 0.90 MME (0.61) MMEACECSGALNACT1HPGDCYP1A2
SCHEMBL9934663 0.90 MME (0.61) MMEACECSGALNACT1HPGDCYP1A2
SCHEMBL9935484 0.89 MME (0.59) MMEACECSGALNACT1HSD17B10MAPT
SCHEMBL9935488 0.89 MME (0.59) MMEACECSGALNACT1HSD17B10MAPT
SCHEMBL9935602 0.88 MME (0.59) MMEACECSGALNACT1ADRB1ADRB3
SCHEMBL9935607 0.88 MME (0.59) MMEACECSGALNACT1ADRB1ADRB3
SCHEMBL9935251 0.86 MME (0.63) MMEACE
SCHEMBL9935257 0.86 MME (0.63) MMEACE
SCHEMBL9935461 0.86 MME (0.56) MMEACEHPGD

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 3/4885CSGALNACT1 1670/4885
US-20160184316-A1 NEPRILYSIN INHIBITORS MME, REN, ACE MME 1/4885ACE 3/4885CSGALNACT1 1670/4885
US-20120157386-A1 NEPRILYSIN INHIBITORS MME, REN, ACE MME 1/4885ACE 3/4885CSGALNACT1 1670/4885
US-20170217959-A1 NEPRILYSIN INHIBITORS MME, REN, ACE MME 1/4885ACE 3/4885CSGALNACT1 1670/4885

“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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