SCHEMBL9935037

SCHEMBL9935037

O=C(NN(Cc1ccc(-c2cccc(Cl)c2)cc1)C[C@@H](O)C(=O)O)c1cc(O)no1

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 16/20 0.67
▸ ACE P12821 7/20 0.67
▸ TAAR1 Q96RJ0 1/20 0.40
▸ TP53 P04637 1/20 0.39
▸ CSGALNACT1 Q8TDX6 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
SCHEMBL9934956 1.00 MME (0.67) MMEACETAAR1TP53CSGALNACT1
SCHEMBL9934968 1.00 MME (0.67) MMEACETAAR1TP53CSGALNACT1
SCHEMBL9936262 0.92 MME (0.56) MMEACECSGALNACT1
SCHEMBL9936258 0.92 MME (0.56) MMEACECSGALNACT1
SCHEMBL9934307 0.92 MME (0.54) MMEACE
SCHEMBL9934316 0.92 MME (0.54) MMEACE
SCHEMBL9934400 0.91 MME (0.55) MMEACE
SCHEMBL9934409 0.91 MME (0.55) MMEACE
SCHEMBL9935014 0.90 MME (0.53) MMEACETAAR1CSGALNACT1
SCHEMBL9934754 0.90 MME (0.53) MMEACECSGALNACT1

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 48 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210032250-A1 GLUCURONIDE PRODRUGS OF JANUS KINASE INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2021-02-04 — — US disclosed
US-10745405-B2 Glucuronide prodrugs of Janus kinase inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2020-08-18 — — US disclosed
EP-3609899-A1 GLUCURONIDE PRODRUGS OF JANUS KINASE INHIBITORS Theravance Biopharma R&D IP, LLC (US) 2020-02-19 — — EP disclosed
US-10472366-B2 Glucuronide prodrugs of tofacitinib THERAVANCE BIOPHARMA R&D IP, LLC (US) 2019-11-12 — — US disclosed
US-20180339990-A1 GLUCURONIDE PRODRUGS OF JANUS KINASE INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2018-11-29 — — US disclosed
WO-2018217700-A1 GLUCURONIDE PRODRUGS OF JANUS KINASE INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2018-11-29 — — WO disclosed
US-20180258094-A1 GLUCURONIDE PRODRUGS OF TOFACITINIB THERAVANCE BIOPHARMA R&D IP, LLC (US) 2018-09-13 — — US disclosed
US-9981999-B2 Neprilysin inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2018-05-29 — — US disclosed
US-9981999-B2 Neprilysin inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2018-05-29 — — US disclosed
US-9873696-B2 Neprilysin inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2018-01-23 — — US disclosed
US-20140011997-A1 NEPRILYSIN INHIBITORS THERAVANCE, INC. (US) 2014-01-09 — — US 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-8563512-B2 Neprilysin inhibitors THERAVANCE, INC. (US) 2013-10-22 — — US disclosed
US-8563512-B2 Neprilysin inhibitors THERAVANCE, INC. (US) 2013-10-22 — — US disclosed
US-20130259897-A1 CRYSTALLINE FORMS OF (R)-3-[N-(3'-CHLOROBIPHENYL-4-YLMETHYL)-N'-(3-HYDROXYISOXAZOLE-5-CARBONYL)HYDRAZINO]-2-HYDROXYPROPIONIC ACID ISOPROPYL ESTER THERAVANCE BIOPHARMA R&D IP, LLC 2013-10-03 — — US disclosed
US-20120157386-A1 NEPRILYSIN INHIBITORS THERAVANCE, INC. (US) 2012-06-21 — — US disclosed
US-20120157386-A1 NEPRILYSIN INHIBITORS THERAVANCE, INC. (US) 2012-06-21 — — 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 (8 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 3/4885TAAR1 317/4885
US-20180258094-A1 GLUCURONIDE PRODRUGS OF TOFACITINIB UGT1A1, JAK1, UGT1A3 MME 4059/4885ACE 2560/4885TAAR1 1570/4885
US-20130259897-A1 CRYSTALLINE FORMS OF (R)-3-[N-(3'-CHLOROBIPHENYL-4-YLMETHYL)-N'-(3-HYDROXYISOXAZOLE-5-CARBONYL)HYDRAZINO]-2-HYDROXYPROPIONIC ACID ISOPROPYL ESTER HCAR3, HCAR2, HMGCR MME 646/4885ACE 56/4885TAAR1 4166/4885
US-10472366-B2 Glucuronide prodrugs of tofacitinib UGT1A1, JAK1, UGT1A3 MME 4059/4885ACE 2560/4885TAAR1 1570/4885
US-20120157386-A1 NEPRILYSIN INHIBITORS MME, REN, ACE MME 1/4885ACE 3/4885TAAR1 317/4885
US-20210032250-A1 GLUCURONIDE PRODRUGS OF JANUS KINASE INHIBITORS JAK1, UGT1A1, JAK2 MME 3500/4885ACE 1422/4885TAAR1 1280/4885
US-10745405-B2 Glucuronide prodrugs of Janus kinase inhibitors JAK1, UGT1A1, JAK2 MME 3500/4885ACE 1422/4885TAAR1 1280/4885
US-20180339990-A1 GLUCURONIDE PRODRUGS OF JANUS KINASE INHIBITORS JAK1, UGT1A1, JAK2 MME 3500/4885ACE 1422/4885TAAR1 1280/4885

“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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