SCHEMBL10173007

SCHEMBL10173007

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

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PREP P48147 3/20 0.61
CTRB1 P17538 1/20 0.61
NPSR1 Q6W5P4 1/20 0.60
KDM1A O60341 1/20 0.60
RCOR1 Q9UKL0 1/20 0.60
TSHR P16473 3/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
KMT2A Q03164 1/20 0.59
KDM4E B2RXH2 1/20 0.59
LMNA P02545 1/20 0.59
CYP3A4 P08684 1/20 0.59
MAPT P10636 1/20 0.59
CYP2C9 P11712 1/20 0.59
RAB9A P51151 1/20 0.59
GFER P55789 1/20 0.58
HSD17B10 Q99714 1/20 0.58
ALDH1A1 P00352 2/20 0.57
KLK7 P49862 1/20 0.56
KLK5 Q9Y337 1/20 0.56

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
SCHEMBL6468026 1.00 PREP (0.61) PREPCTRB1NPSR1KDM1ARCOR1
SCHEMBL13209657 1.00 PREP (0.61) PREPCTRB1NPSR1KDM1ARCOR1
SCHEMBL1437568 0.90 PREP (0.64) PREPCTRB1NPSR1KDM1ARCOR1
SCHEMBL809457 0.90 PREP (0.64) PREPCTRB1NPSR1KDM1ARCOR1
SCHEMBL475629 0.90 PREP (0.64) PREPCTRB1NPSR1KDM1ARCOR1
SCHEMBL14496355 0.87 PREP (0.65) PREPCTRB1NPSR1KDM1ARCOR1
SCHEMBL30011307 0.87 PREP (0.61) PREPCTRB1NPSR1KDM1ARCOR1
SCHEMBL12139909 0.87 PREP (0.61) PREPCTRB1NPSR1KDM1ARCOR1
SCHEMBL205223 0.87 PREP (0.67) PREPCTRB1NPSR1TSHRL3MBTL1
SCHEMBL29553 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 30 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-20170008906-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP. (US) 2017-01-12 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-20150246917-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP. (US) 2015-09-03 US disclosed
US-9090661-B2 Inhibitors of hepatitis C virus replication MERCK SHARP & DOHME CORP. (US) 2015-07-28 US disclosed
US-9090661-B2 Inhibitors of hepatitis C virus replication MERCK SHARP & DOHME CORP. (US) 2015-07-28 US disclosed
US-9040706-B2 Pyrrolidine inhibitors of IAP GENENTECH, INC. (US) 2015-05-26 US disclosed
US-9040706-B2 Pyrrolidine inhibitors of IAP GENENTECH, INC. (US) 2015-05-26 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-20120258078-A1 ANTIVIRAL COMPOUNDS OF THREE LINKED ARYL MOIETIES TO TREAT DISEASES SUCH AS HEPATITIS C SCHERING CORPORATION (US) 2012-10-11 US disclosed
US-20120083483-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP (NJ) 2012-04-05 US disclosed
US-20120083483-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP (NJ) 2012-04-05 US disclosed
US-20110223134-A1 FUSED TRICYCLIC SILYL COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME LLC 2011-09-15 US disclosed
US-20110223134-A1 FUSED TRICYCLIC SILYL COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME LLC 2011-09-15 US disclosed
WO-2011112429-A1 FUSED TRICYCLIC SILYL COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES SCHERING CORPORATION (US) 2011-09-15 WO disclosed
WO-2010138791-A1 ANTIVIRAL COMPOUNDS COMPOSED OF THREE LINKED ARYL MOIETIES TO TREAT DISEASES SUCH AS HEPATITIS C SCHERING CORPORATION (US) 2010-12-02 WO disclosed
WO-2010111483-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP. (US) 2010-09-30 WO disclosed
US-20090318409-A1 PYRROLIDINE INHIBITORS OF IAP GENENTECH, INC. (US) 2009-12-24 US disclosed
US-20090176822-A1 PYRROLIDINE INHIBITORS OF IAP GENENTECH, INC. (US) 2009-07-09 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 (7 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-20120083483-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 PREP 776/4885CTRB1 285/4885NPSR1 4173/4885
US-20090176822-A1 PYRROLIDINE INHIBITORS OF IAP BIRC5, XIAP, BIRC2 PREP 130/4885CTRB1 778/4885NPSR1 2920/4885
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-20120258078-A1 ANTIVIRAL COMPOUNDS OF THREE LINKED ARYL MOIETIES TO TREAT DISEASES SUCH AS HEPATITIS C HAVCR2, ZC3HAV1, EIF2AK2 PREP 727/4885CTRB1 668/4885NPSR1 3998/4885
US-20110223134-A1 FUSED TRICYCLIC SILYL COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES FOXM1, ZC3HAV1L, C1S PREP 1777/4885CTRB1 116/4885NPSR1 3195/4885
US-20090318409-A1 PYRROLIDINE INHIBITORS OF IAP BIRC5, XIAP, BIRC2 PREP 130/4885CTRB1 778/4885NPSR1 2920/4885

“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.