Sugi Predict

Sugi Predict / Compounds / SCHEMBL1536428

SCHEMBL1536428

SCHEMBL1536428

O=C(O)/C=C/c1cccc2c1CCO2

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.65
▸ ESR1 P03372 2/20 0.46
▸ ESR2 Q92731 2/20 0.46
▸ CA1 P00915 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ NFKB1 P19838 1/20 0.46
▸ CA4 P22748 1/20 0.46
▸ HTT P42858 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ PARP1 P09874 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ SLC9A1 P19634 2/20 0.39
▸ HCAR2 Q8TDS4 2/20 0.39
▸ HDAC3 O15379 1/20 0.39
▸ TNKS O95271 1/20 0.39
▸ HDAC4 P56524 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC7 Q8WUI4 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39
▸ HDAC10 Q969S8 1/20 0.39

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
SCHEMBL1536429 1.00 KDM4E (0.65) KDM4EESR1ESR2CA1CA2
SCHEMBL8486991 0.94 KDM4E (0.62) KDM4EESR1ESR2CA1CA2
SCHEMBL8486988 0.94 KDM4E (0.62) KDM4EESR1ESR2CA1CA2
SCHEMBL6678005 0.89 KDM4E (0.60) KDM4EESR1ESR2CA1CA2
SCHEMBL6678009 0.89 KDM4E (0.60) KDM4EESR1ESR2CA1CA2
SCHEMBL6676220 0.86 KDM4E (0.56) KDM4EESR1ESR2CA1CA2
SCHEMBL6681120 0.86 KDM4E (0.48) KDM4ESLC9A1MTNR1BSLC9A5SLC9A2
SCHEMBL6681118 0.86 KDM4E (0.48) KDM4ESLC9A1MTNR1BSLC9A5SLC9A2
SCHEMBL14276446 0.86 IAPP (0.49) KDM4EESR1ESR2MAPTSLC9A1
SCHEMBL6678855 0.80 KDM4E (0.43) KDM4ENFKB1MAPTSLC9A1MTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018149940-A1 PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY ENRICHED DIHYDROBENZOFURANS AND INTERMEDIATE COMPOUNDS OBTAINED IN THE PROCESS QUIMICA SINTETICA, S. A. (ES) 2018-08-23 — — WO disclosed
US-9944616-B2 Processes for the preparation of Tasimelteon and intermediates thereof APOTEX INC. (CA) 2018-04-17 — — US disclosed
US-9944616-B2 Processes for the preparation of Tasimelteon and intermediates thereof APOTEX INC. (CA) 2018-04-17 — — US disclosed
US-20170355688-A1 Processes for the Preparation of Tasimelteon and Intermediates Thereof THE BANK OF NOVA SCOTIA (CA) 2017-12-14 — — US disclosed
US-20170355688-A1 Processes for the Preparation of Tasimelteon and Intermediates Thereof THE BANK OF NOVA SCOTIA (CA) 2017-12-14 — — US disclosed
US-9636375-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-05-02 — — US disclosed
WO-2016109359-A1 CYCLOPROPYL DIHYDROBENZOFURAN MODULATORS OF MELATONIN RECEPTORS AUSPEX PHARMACEUTICALS, INC. (US) 2016-07-07 — — WO disclosed
WO-2016109359-A1 CYCLOPROPYL DIHYDROBENZOFURAN MODULATORS OF MELATONIN RECEPTORS AUSPEX PHARMACEUTICALS, INC. (US) 2016-07-07 — — WO disclosed
US-20160067302-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2016-03-10 — — US disclosed
US-9227940-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-01-05 — — US disclosed
EP-1027043-B1 BENZODIOXOLE, BENZOFURAN, DIHYDROBENZOFURAN, AND BENZODIOXANE MELATONERGIC AGENTS BRISTOL MYERS SQUIBB CO (US) 2004-11-10 — — EP disclosed
WO-2004094452-A2 MACROCYCLIC ISOQUINOLINE PEPTIDE INHIBITORS OF HEPATITIS C VIRUS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-11-04 — — WO disclosed
US-20040106559-A1 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-06-03 — — US disclosed
WO-2003099274-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-12-04 — — WO disclosed
EP-1027043-A4 BENZODIOXOLE, BENZOFURAN, DIHYDROBENZOFURAN, AND BENZODIOXANE MELATONERGIC AGENTS BRISTOL MYERS SQUIBB CO (US) 2002-02-20 — — EP disclosed
EP-1027043-A1 BENZODIOXOLE, BENZOFURAN, DIHYDROBENZOFURAN, AND BENZODIOXANE MELATONERGIC AGENTS Bristol-Myers Squibb Company (US) 2000-08-16 — — EP disclosed
US-6060506-A FOR TREATMENT OF SLEEP DISORDERS, CIRCADIAN RHYTHM DISORDERS BRISTOL-MYERS SQUIBB COMPANY (US) 2000-05-09 — — US disclosed
US-6011059-A PREVENTING OR TREATING ANGINA PECTORIS, CARDIAC DYSFUNCTION, MYOCARDIAL NECROSIS, AND ARRHYTHMIA EMPLOYING THE ABOVE ACYL GUANIDINES. BRISTOL-MYERS SQUIBB COMPANY (US) 2000-01-04 — — US disclosed
US-5981571-A USEFUL AS MELATONERGIC AGENTS IN THE TREATMENT OF SLEEP DISORDERS, SEASONAL DEPRESSION, SHIFTS IN CIRCADIAN CYCLES, MELANCHOLIA, STRESS, APPETITE REGULATION, BENIGN PROSTATIC HYPERPLASIA AND RELATED CONDITIONS BRISTOL-MYERS SQUIBB COMPANY (US) 1999-11-09 — — US disclosed
WO-1998025606-A1 BENZODIOXOLE, BENZOFURAN, DIHYDROBENZOFURAN, AND BENZODIOXANE MELATONERGIC AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 1998-06-18 — — 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-20160067302-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, CTRB1 KDM4E 2261/4885ESR1 2381/4885ESR2 951/4885
US-20040106559-A1 Hepatitis C virus inhibitors HAVCR2, HCCS, RNASE1 KDM4E 2792/4885ESR1 3635/4885ESR2 1245/4885
US-20170355688-A1 Processes for the Preparation of Tasimelteon and Intermediates Thereof TRMT1, SULT1A1, TMT1A KDM4E 2092/4885ESR1 1849/4885ESR2 1867/4885

“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.