Sugi Predict

Sugi Predict / Compounds / SCHEMBL9971045

SCHEMBL9971045

SCHEMBL9971045

CC(C)(C)OC(=O)N/N=C\c1ccc(-c2cccc(Cl)c2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MIF P14174 1/20 0.61
▸ RAB9A P51151 10/20 0.60
▸ NPC1 O15118 8/20 0.60
▸ SMN1; SMN2 Q16637 7/20 0.60
▸ RECQL P46063 1/20 0.60
▸ MAPT P10636 10/20 0.58
▸ KDM4E B2RXH2 3/20 0.55
▸ HPGD P15428 2/20 0.53
▸ KMT2A Q03164 8/20 0.51
▸ LMNA P02545 5/20 0.51
▸ ALDH1A1 P00352 3/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.47
▸ NFKB1 P19838 1/20 0.47
▸ NFKB2 Q00653 1/20 0.47
▸ RELA Q04206 1/20 0.47
▸ MEN1 O00255 3/20 0.46
▸ POLB P06746 1/20 0.46
▸ CTDSP1 Q9GZU7 1/20 0.46
▸ TP53 P04637 1/20 0.44
▸ MAPK1 P28482 1/20 0.44

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
SCHEMBL6444624 0.86 MAPT (0.72) MIFRAB9ANPC1SMN1; SMN2RECQL
SCHEMBL5373502 0.83 MIF (0.76) MIFRAB9ANPC1SMN1; SMN2RECQL
SCHEMBL5373505 0.83 MIF (0.76) MIFRAB9ANPC1SMN1; SMN2RECQL
SCHEMBL23241902 0.79 MAPT (0.74) MIFRAB9ANPC1SMN1; SMN2RECQL
SCHEMBL23241901 0.79 MAPT (0.74) MIFRAB9ANPC1SMN1; SMN2RECQL
SCHEMBL12979794 0.78 MAPT (0.76) MIFRAB9ANPC1SMN1; SMN2RECQL
SCHEMBL3266677 0.78 MAPT (0.76) MIFRAB9ANPC1SMN1; SMN2RECQL
SCHEMBL6423387 0.78 MAPT (0.76) MIFRAB9ANPC1SMN1; SMN2RECQL
SCHEMBL13903493 0.77 KDM4E (0.66) MIFRAB9ANPC1SMN1; SMN2RECQL
SCHEMBL6444643 0.76 MIF (1.00) MIFRAB9ANPC1SMN1; SMN2RECQL

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 21 patents — showing the first 20. 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-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-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-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-20160184316-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2016-06-30 — — US disclosed
US-9271965-B2 Crystalline forms of (R)-3-[N-(3'-chlorobiphenyl-4-ylmethyl)-N'-(3-hydroxyisoxazole-5-carbonyl)hydrazino]-2-hydroxyproprionic acid isopropyl ester THERAVANCE BIOPHARMA R&D IP, LLC (US) 2016-03-01 — — 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-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-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
WO-2013148768-A1 CRYSTALLINE FORMS OF (R)-3-[N-(3'-CHLOROBIPHENYL-4-YLMETHYL)-N'-(3-HYDROXYISOXAZOLE-5-CARBONYL)HYDRAZINO]-2-HYDROXYPROPIONIC ACID ISOPROPYL ESTER THERAVANCE, INC. (US) 2013-10-03 — — WO 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 (5 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 MIF 3417/4885RAB9A 1357/4885NPC1 194/4885
US-20160184316-A1 NEPRILYSIN INHIBITORS MME, REN, ACE MIF 3417/4885RAB9A 1357/4885NPC1 194/4885
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 MIF 1510/4885RAB9A 2507/4885NPC1 403/4885
US-20120157386-A1 NEPRILYSIN INHIBITORS MME, REN, ACE MIF 3417/4885RAB9A 1357/4885NPC1 194/4885
US-20170217959-A1 NEPRILYSIN INHIBITORS MME, REN, ACE MIF 3417/4885RAB9A 1357/4885NPC1 194/4885

“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.