SCHEMBL731552

SCHEMBL731552

C=CCCCOC(=O)N[C@H](C(=O)O)C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
LMNA P02545 2/20 0.35
HRH3 Q9Y5N1 5/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HRH4 Q9H3N8 2/20 0.33
PDF Q9HBH1 1/20 0.33
BACE1 P56817 1/20 0.32
MAPT P10636 2/20 0.32
USP2 O75604 1/20 0.32
CYP3A4 P08684 1/20 0.32
RECQL P46063 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ABCC4 O15439 1/20 0.32
CTSK P43235 1/20 0.32
PLA2G2C Q5R387 1/20 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
SCHEMBL1988212 1.00 ALDH1A1 (0.35) ALDH1A1LMNAHRH3L3MBTL1HRH4
SCHEMBL731304 0.96 LMNA (0.37) ALDH1A1LMNAHRH3MAPTUSP2
SCHEMBL1984791 0.96 LMNA (0.37) ALDH1A1LMNAHRH3MAPTUSP2
SCHEMBL733660 0.94 ALDH1A1 (0.40) ALDH1A1LMNAMAPTUSP2CYP3A4
SCHEMBL2042688 0.94 ALDH1A1 (0.40) ALDH1A1LMNAMAPTUSP2CYP3A4
SCHEMBL2043708 0.94 ALDH1A1 (0.40) ALDH1A1LMNAMAPTUSP2CYP3A4
SCHEMBL731050 0.94 ALDH1A1 (0.40) ALDH1A1LMNAMAPTUSP2CYP3A4
SCHEMBL731309 0.91 PDF (0.34) ALDH1A1HRH3PDFBACE1PLA2G2C
SCHEMBL1983553 0.91 PDF (0.34) ALDH1A1HRH3PDFBACE1PLA2G2C
SCHEMBL733226 0.85 ALDH1A1 (0.34) ALDH1A1LMNAHRH3L3MBTL1HRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2086982-B1 HCV NS3 PROTEASE INHIBITORS MERCK SHARP & DOHME (US) 2018-08-29 EP 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-20150266897-A1 HCV NS3 Protease Inhibitors MSD ITALIA S.R.L. (IT) 2015-09-24 US disclosed
US-20150266897-A1 HCV NS3 Protease Inhibitors MSD ITALIA S.R.L. (IT) 2015-09-24 US disclosed
EP-2076278-B1 Macrocyclic HCV NS3 protease inhibitors MERCK SHARP & DOHME (US) 2015-05-06 EP disclosed
EP-2076278-B1 Macrocyclic HCV NS3 protease inhibitors MERCK SHARP & DOHME (US) 2015-05-06 EP disclosed
US-8962810-B2 Macrocyclic heterocyclic compound for inhibiting hepatitis C virus and preparation and use thereof AB Pharma Ltd. (CN) 2015-02-24 US disclosed
US-8927569-B2 Macrocyclic compounds as antiviral agents MERCK SHARP & DOHME CORP. (US) 2015-01-06 US disclosed
EP-2079479-B1 HCV NS3 PROTEASE INHIBITORS MERCK SHARP & DOHME (US) 2014-11-26 EP disclosed
EP-1910404-A1 HCV NS3 PROTEASE INHIBITORS Merck & Co., Inc. (US) 2008-04-16 EP disclosed
WO-2007015787-A1 HCV NS3 PROTEASE INHIBITORS MERCK & CO., INC. (US) 2007-02-08 WO disclosed
WO-2007015787-A1 HCV NS3 PROTEASE INHIBITORS MERCK & CO., INC. (US) 2007-02-08 WO disclosed
WO-2007016441-A1 MACROCYCLIC PEPTIDES AS HCV NS3 PROTEASE INHIBITORS MERCK & CO., INC. (US) 2007-02-08 WO disclosed
WO-2007015855-A1 HCV NS3 PROTEASE INHIBITORS MERCK & CO., INC. (US) 2007-02-08 WO disclosed
WO-2007016441-A1 MACROCYCLIC PEPTIDES AS HCV NS3 PROTEASE INHIBITORS MERCK & CO., INC. (US) 2007-02-08 WO disclosed
WO-2007015855-A1 HCV NS3 PROTEASE INHIBITORS MERCK & CO., INC. (US) 2007-02-08 WO disclosed
US-20070027071-A1 HCV NS3 protease inhibitors MERCK SHARP & DOHME LLC 2007-02-01 US disclosed
US-20070027071-A1 HCV NS3 protease inhibitors MERCK SHARP & DOHME LLC 2007-02-01 US disclosed
US-20070027071-A1 HCV NS3 protease inhibitors MERCK SHARP & DOHME LLC 2007-02-01 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 (2 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-20070027071-A1 HCV NS3 protease inhibitors HAVCR2, GTF3C3, CTSC ALDH1A1 1199/4885LMNA 3730/4885HRH3 4618/4885
US-20150266897-A1 HCV NS3 Protease Inhibitors HAVCR2, GTF3C3, CTSC ALDH1A1 1199/4885LMNA 3730/4885HRH3 4618/4885

“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.