SCHEMBL7945603

SCHEMBL7945603

C=CCCCC1C[C@H]1OC(=O)N[C@H](C(=O)O)C(C)(C)C

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.31
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL3311795 1.00 CNR2 (0.31) CNR2ALDH1A1LMNA
SCHEMBL16853951 1.00 CNR2 (0.31) CNR2ALDH1A1LMNA
SCHEMBL2173087 1.00 CNR2 (0.31) CNR2ALDH1A1LMNA
SCHEMBL19447840 0.96 ALDH1A1 (0.32) CNR2ALDH1A1LMNA
SCHEMBL18721718 0.94
SCHEMBL15424652 0.93 CNR2 (0.32) CNR2
SCHEMBL19174544 0.93 CNR2 (0.32) CNR2
SCHEMBL18307681 0.93 CNR2 (0.32) CNR2
SCHEMBL15424650 0.90 CNR2 (0.31) CNR2
SCHEMBL15591352 0.90 CNR2 (0.31) CNR2

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3159345-A1 INHIBITORS OF HEPATITIS C VIRUS Gilead Sciences, Inc. (US) 2017-04-26 EP disclosed
US-20160361375-A1 INHIBITORS OF HEPATITIS C VIRUS GILEAD PHARMASSET LLC 2016-12-15 US disclosed
EP-2870160-B1 INHIBITORS OF HEPATITIS C VIRUS GILEAD SCIENCES INC (US) 2016-09-28 EP disclosed
US-9296782-B2 Inhibitors of hepatitis C virus GILEAD SCIENCES, INC. (US) 2016-03-29 US disclosed
WO-2015095437-A1 METHODS AND INTERMEDIATES FOR THE PREPARATION OF MACROLACTAMS MERCK SHARP & DOHME CORP. (US) 2015-06-25 WO disclosed
US-20150175655-A1 INHIBITORS OF HEPATITIS C VIRUS GILEAD PHARMASSET LLC 2015-06-25 US disclosed
US-20140017198-A1 INHIBITORS OF HEPATITIS C VIRUS GILEAD PHARMASSET LLC 2014-01-16 US disclosed
US-20110224134-A1 MACROCYCLIC QUINOXALINE COMPOUNDS AS HCV NS3 PROTEASE INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2011-09-15 US disclosed
US-7973040-B2 Macrocyclic quinoxaline compounds as HCV NS3 protease inhibitors MERCK SHARP & DOHME CORP. (US) 2011-07-05 US disclosed
US-20100029666-A1 Macrocyclic Quinoxaline Compounds as HCV NS3 Protease Inhibitors MERCK SHARP & DOHME LLC 2010-02-04 US disclosed
WO-2010011566-A1 MACROCYCLIC QUINOXALINE COMPOUNDS AS HCV NS3 PROTEASE INHIBITORS MERCK & CO., INC. (US) 2010-01-28 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-20150175655-A1 INHIBITORS OF HEPATITIS C VIRUS HAVCR2, SLC10A1, GOT1 CNR2 3291/4885ALDH1A1 125/4885LMNA 2421/4885
US-20160361375-A1 INHIBITORS OF HEPATITIS C VIRUS HAVCR2, SLC10A1, GOT1 CNR2 2867/4885ALDH1A1 112/4885LMNA 2502/4885
US-20110224134-A1 MACROCYCLIC QUINOXALINE COMPOUNDS AS HCV NS3 PROTEASE INHIBITORS KEAP1, CTSC, SPINT2 CNR2 3691/4885ALDH1A1 1419/4885LMNA 3876/4885
US-20100029666-A1 Macrocyclic Quinoxaline Compounds as HCV NS3 Protease Inhibitors KEAP1, CTSC, SPINT2 CNR2 3691/4885ALDH1A1 1419/4885LMNA 3876/4885
US-20140017198-A1 INHIBITORS OF HEPATITIS C VIRUS HAVCR2, SLC10A1, GOT1 CNR2 2867/4885ALDH1A1 112/4885LMNA 2502/4885

“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.