SCHEMBL3311795

SCHEMBL3311795

C=CCCC[C@H]1C[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
SCHEMBL7945603 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 12 patents. 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-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
US-20150266897-A1 HCV NS3 Protease Inhibitors MSD ITALIA S.R.L. (IT) 2015-09-24 US disclosed
WO-2015095437-A1 METHODS AND INTERMEDIATES FOR THE PREPARATION OF MACROLACTAMS MERCK SHARP & DOHME CORP. (US) 2015-06-25 WO disclosed
EP-2540349-B1 PHARMACEUTICAL COMPOSITIONS COMPRISING A MACROCYCLIC QUINOXALINE COMPOUND WHICH IS AN HCV NS3 PROTEASE INHIBITOR MERCK SHARP & DOHME (US) 2014-02-12 EP 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-20100099695-A1 HCV NS3 Protease Inhibitors MSD ITALIA S.R.L. (IT) 2010-04-22 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-20100099695-A1 HCV NS3 Protease Inhibitors HAVCR2, GTF3C3, CTSC CNR2 4458/4885ALDH1A1 1199/4885LMNA 3730/4885
US-20150266897-A1 HCV NS3 Protease Inhibitors HAVCR2, GTF3C3, CTSC CNR2 4458/4885ALDH1A1 1199/4885LMNA 3730/4885

“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.