Sugi Predict

Sugi Predict / Compounds / SCHEMBL47051

SCHEMBL47051

SCHEMBL47051

O=C(CBr)[C@@H]1CCCN1C(=O)OCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PREP P48147 4/20 0.61
▸ CTRB1 P17538 1/20 0.58
▸ NPSR1 Q6W5P4 1/20 0.57
▸ TSHR P16473 2/20 0.56
▸ L3MBTL1 Q9Y468 1/20 0.56
▸ KMT2A Q03164 1/20 0.56
▸ KLK7 P49862 1/20 0.56
▸ KLK5 Q9Y337 1/20 0.56
▸ KDM4E B2RXH2 1/20 0.56
▸ LMNA P02545 1/20 0.56
▸ GFER P55789 1/20 0.55
▸ HSD17B10 Q99714 1/20 0.55
▸ ALDH1A1 P00352 2/20 0.54
▸ KDM1A O60341 1/20 0.54
▸ RCOR1 Q9UKL0 1/20 0.54

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
SCHEMBL9555086 1.00 PREP (0.61) PREPCTRB1NPSR1TSHRL3MBTL1
SCHEMBL9555094 1.00 PREP (0.61) PREPCTRB1NPSR1TSHRL3MBTL1
SCHEMBL6312488 0.89 PREP (0.60) PREPCTRB1NPSR1TSHRL3MBTL1
SCHEMBL13191519 0.87 PREP (0.61) PREPCTRB1NPSR1TSHRL3MBTL1
SCHEMBL29302756 0.87 PREP (0.61) PREPCTRB1NPSR1TSHRL3MBTL1
SCHEMBL13389110 0.87 TSHR (0.65) PREPCTRB1NPSR1TSHRL3MBTL1
SCHEMBL29658848 0.87 PREP (0.67) PREPCTRB1NPSR1TSHRL3MBTL1
SCHEMBL29553 0.87 PREP (0.67) PREPCTRB1NPSR1TSHRL3MBTL1
SCHEMBL475715 0.87 PREP (0.67) PREPCTRB1NPSR1TSHRL3MBTL1
SCHEMBL205223 0.87 PREP (0.67) PREPCTRB1NPSR1TSHRL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170008906-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP. (US) 2017-01-12 — — US disclosed
US-9254292-B2 Fused tetracycle derivatives and methods of use thereof for the treatment of viral diseases MERCK SHARP & DOHME CORP. (US) 2016-02-09 — — US disclosed
EP-2545060-B1 FUSED TRICYCLIC SILYL COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME (US) 2015-11-25 — — EP disclosed
US-20150246917-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP. (US) 2015-09-03 — — US disclosed
US-9120779-B2 Inhibitors of HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2015-09-01 — — US disclosed
US-9120779-B2 Inhibitors of HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2015-09-01 — — US disclosed
US-9090661-B2 Inhibitors of hepatitis C virus replication MERCK SHARP & DOHME CORP. (US) 2015-07-28 — — US disclosed
US-8980920-B2 Antiviral compounds of three linked aryl moieties to treat diseases such as hepatitis C MERCK SHARP & DOHME CORP. (US) 2015-03-17 — — US disclosed
US-8980920-B2 Antiviral compounds of three linked aryl moieties to treat diseases such as hepatitis C MERCK SHARP & DOHME CORP. (US) 2015-03-17 — — US disclosed
EP-2435424-B1 ANTIVIRAL COMPOUNDS COMPOSED OF THREE LINKED ARYL MOIETIES TO TREAT DISEASES SUCH AS HEPATITIS C MERCK SHARP & DOHME (US) 2015-01-21 — — EP disclosed
WO-2008079735-A1 IMIDAZOPYRIDINE INHIBITORS OF IAP GENENTECH, INC. (US) 2008-07-03 — — WO disclosed
EP-1215208-B1 4-Aminothiazole derivatives, their preparation and their use as inhibitors of cyclin-dependent kinases AGOURON PHARMA (US) 2006-07-12 — — EP disclosed
EP-1056732-B1 4-AMINOTHIAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS INHIBITORS OF CYCLIN-DEPENDENT KINASES AGOURON PHARMA (US) 2006-01-11 — — EP disclosed
US-20030220326-A1 Compounds, pharmaceutical compositions, and methods for inhibiting cyclin-dependent kinases CHONG WESLEY K M (US) 2003-11-27 — — US disclosed
US-6569878-B1 Such as 4-amino-2-phenylamino-thiazol-5-yl)-(3-nitrophenyl)-methanone for treating cancer AGOURON PHARMACEUTICALS INC. 2003-05-27 — — US disclosed
EP-1215208-A2 4-Aminothiazole derivatives, their preparation and their use as inhibitors of cyclin-dependent kinases Agouron Pharmaceuticals, Inc. (US) 2002-06-19 — — EP disclosed
EP-1056732-A2 4-AMINOTHIAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS INHIBITORS OF CYCLIN-DEPENDENT KINASES AGOURON PHARMACEUTICALS, INC. (US) 2000-12-06 — — EP disclosed
WO-1999021845-A2 4-AMINOTHIAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS INHIBITORS OF CYCLIN-DEPENDENT KINASES AGOURON PHARMACEUTICALS, INC. (US) 1999-05-06 — — WO disclosed
US-5250517-A Hypotensive and cardiotonic agents; cardiac insufficiency HOFFMANN-LA ROCHE INC. (US) 1993-10-05 — — US disclosed
EP-0310918-A2 Peptide-like amino-acid derivatives F. HOFFMANN-LA ROCHE AG (CH) 1989-04-12 — — EP 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-20170008906-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 PREP 776/4885CTRB1 285/4885NPSR1 4173/4885
US-20150246917-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 PREP 776/4885CTRB1 285/4885NPSR1 4173/4885
US-20030220326-A1 Compounds, pharmaceutical compositions, and methods for inhibiting cyclin-dependent kinases CDK2, CDK4, CDK1 PREP 1498/4885CTRB1 1205/4885NPSR1 4112/4885

“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.