SCHEMBL2171477

SCHEMBL2171477

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

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
CNR1 P21554 3/20 0.32
CNR2 P34972 3/20 0.32

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
SCHEMBL2172887 1.00 ALDH1A1 (0.32) ALDH1A1LMNACNR1CNR2
SCHEMBL7945504 1.00 ALDH1A1 (0.32) ALDH1A1LMNACNR1CNR2
SCHEMBL19263184 1.00 ALDH1A1 (0.32) ALDH1A1LMNACNR1CNR2
SCHEMBL16853951 0.89 CNR2 (0.31) ALDH1A1LMNACNR2
SCHEMBL2173087 0.89 CNR2 (0.31) ALDH1A1LMNACNR2
SCHEMBL7945603 0.89 CNR2 (0.31) ALDH1A1LMNACNR2
SCHEMBL3311795 0.89 CNR2 (0.31) ALDH1A1LMNACNR2
SCHEMBL19447840 0.86 ALDH1A1 (0.32) ALDH1A1LMNACNR2
SCHEMBL16869844 0.85 CNR1 (0.32) CNR1CNR2
SCHEMBL18721718 0.84

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
EP-3825312-A1 INTERMEDIATES FOR PREPARING INHIBITORS OF HEPATITIS C VIRUS Gilead Pharmasset LLC (US) 2021-05-26 EP disclosed
US-10335409-B2 Inhibitors of hepatitis C virus GILEAD PHARMASSET LLC (US) 2019-07-02 US disclosed
EP-3492464-A1 INTERMEDIATES FOR PREPARING INHIBITORS OF HEPATITIS C VIRUS Gilead Sciences, Inc. (US) 2019-06-05 EP disclosed
EP-3159345-B1 INHIBITORS OF HEPATITIS C VIRUS GILEAD SCIENCES INC (US) 2019-01-09 EP disclosed
EP-2086982-B1 HCV NS3 PROTEASE INHIBITORS MERCK SHARP & DOHME (US) 2018-08-29 EP disclosed
US-20170290827-A1 INHIBITORS OF HEPATITIS C VIRUS GILEAD PHARMASSET LLC 2017-10-12 US disclosed
US-9738661-B2 HCV NS3 protease inhibitors MERCK SHARP & DOHME CORP. (US) 2017-08-22 US disclosed
US-9738661-B2 HCV NS3 protease inhibitors MERCK SHARP & DOHME CORP. (US) 2017-08-22 US disclosed
US-9655944-B2 Inhibitors of hepatitis C virus GILEAD SCIENCES, INC. (US) 2017-05-23 US disclosed
EP-3159345-A1 INHIBITORS OF HEPATITIS C VIRUS Gilead Sciences, Inc. (US) 2017-04-26 EP disclosed
EP-2540350-A1 Combinations of a macrocyclic quinoxaline compound which is an HCV NS3 protease inhibitors with other HCV agents Merck Sharp & Dohme Corp. (US) 2013-01-02 EP disclosed
EP-2310095-B1 MACROCYCLIC QUINOXALINE COMPOUNDS AS HCV NS3 PROTEASE INHIBITORS MERCK SHARP & DOHME (US) 2012-08-29 EP disclosed
US-8080654-B2 Macrocyclic quinoxaline compounds as HCV NS3 protease inhibitors Insituto di Ricerche di Biologia Molecolare P. Angeletti SpA (IT) 2011-12-20 US disclosed
US-8080654-B2 Macrocyclic quinoxaline compounds as HCV NS3 protease inhibitors Insituto di Ricerche di Biologia Molecolare P. Angeletti SpA (IT) 2011-12-20 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-20100099695-A1 HCV NS3 Protease Inhibitors MSD ITALIA S.R.L. (IT) 2010-04-22 US disclosed
US-20100099695-A1 HCV NS3 Protease Inhibitors MSD ITALIA S.R.L. (IT) 2010-04-22 US disclosed
US-20100029666-A1 Macrocyclic Quinoxaline Compounds as HCV NS3 Protease Inhibitors MERCK SHARP & DOHME LLC 2010-02-04 US disclosed
WO-2008057209-A1 HCV NS3 PROTEASE INHIBITORS MERCK & CO., INC. (US) 2008-05-15 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-20100099695-A1 HCV NS3 Protease Inhibitors HAVCR2, GTF3C3, CTSC ALDH1A1 1199/4885LMNA 3730/4885CNR1 3750/4885
US-20170290827-A1 INHIBITORS OF HEPATITIS C VIRUS HAVCR2, SLC10A1, GOT1 ALDH1A1 112/4885LMNA 2502/4885CNR1 1459/4885
US-20110224134-A1 MACROCYCLIC QUINOXALINE COMPOUNDS AS HCV NS3 PROTEASE INHIBITORS KEAP1, CTSC, SPINT2 ALDH1A1 1419/4885LMNA 3876/4885CNR1 2658/4885
US-20100029666-A1 Macrocyclic Quinoxaline Compounds as HCV NS3 Protease Inhibitors KEAP1, CTSC, SPINT2 ALDH1A1 1419/4885LMNA 3876/4885CNR1 2658/4885
US-10335409-B2 Inhibitors of hepatitis C virus HAVCR2, SLC10A1, GOT1 ALDH1A1 112/4885LMNA 2502/4885CNR1 1459/4885

“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.