SCHEMBL8178753

SCHEMBL8178753

C=CCOCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@]1(C(=O)OCC)C[C@H]1C=C

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.36
HDAC1 Q13547 2/20 0.35
HDAC8 Q9BY41 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HDAC4 P56524 1/20 0.33
ITGB3 P05106 4/20 0.32
ITGA2B P08514 4/20 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
SCHEMBL3470046 0.91 CYP3A4 (0.37) CYP3A4HDAC1HDAC8HDAC4ITGB3
SCHEMBL3470049 0.91 CYP3A4 (0.37) CYP3A4HDAC1HDAC8HDAC4ITGB3
SCHEMBL12768163 0.91 CYP3A4 (0.37) CYP3A4HDAC1HDAC8HDAC4ITGB3
SCHEMBL11984006 0.90 CYP3A4 (0.37) CYP3A4HDAC1HDAC8SMN1; SMN2
SCHEMBL17676680 0.90 HDAC1 (0.39) CYP3A4HDAC1HDAC8SMN1; SMN2HDAC4
SCHEMBL1943013 0.90 HDAC1 (0.39) CYP3A4HDAC1HDAC8SMN1; SMN2HDAC4
SCHEMBL13783718 0.90 HDAC1 (0.39) CYP3A4HDAC1HDAC8SMN1; SMN2HDAC4
SCHEMBL8026867 0.90 HDAC1 (0.39) CYP3A4HDAC1HDAC8SMN1; SMN2HDAC4
SCHEMBL3674630 0.90 HDAC1 (0.39) CYP3A4HDAC1HDAC8SMN1; SMN2HDAC4
SCHEMBL15747003 0.90 HDAC1 (0.39) CYP3A4HDAC1HDAC8SMN1; SMN2HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8299021-B2 Macrocyclic inhibitors of hepatitis C virus replication INTERMUNE, INC. (US) 2012-10-30 US disclosed
US-20120208995-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION ARRAY BIOPHARMA, INC. (US) 2012-08-16 US disclosed
EP-2305697-A2 Macrocyclic inhibitors of Hepatitis C virus replication Intermune, Inc. (US) 2011-04-06 EP disclosed
EP-2305695-A2 Macrocyclic inhibitors of Hepatitis C virus replication Intermune, Inc. (US) 2011-04-06 EP disclosed
EP-2305696-A2 Macrocyclic inhibitors of Hepatitis C virus replication Intermune, Inc. (US) 2011-04-06 EP disclosed
EP-2305698-A2 Macrocyclic inhibitors of Hepatitis C virus replication Intermune, Inc. (US) 2011-04-06 EP disclosed
US-7829665-B2 Macrocyclic inhibitors of hepatitis C virus replication INTERMUNE, INC. (US) 2010-11-09 US disclosed
US-7829665-B2 Macrocyclic inhibitors of hepatitis C virus replication INTERMUNE, INC. (US) 2010-11-09 US disclosed
EP-2177523-A1 Novel macrocyclic inhibitors of hepatitis c virus replication Intermune, Inc. (US) 2010-04-21 EP disclosed
EP-2103623-A2 Novel macrocyclic inhibitors of Hepatitis C virus replication Intermune, Inc. (US) 2009-09-23 EP disclosed
US-20090169510-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2009-07-02 US disclosed
US-20090169510-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2009-07-02 US disclosed
US-20090155209-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. 2009-06-18 US disclosed
US-20090155209-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. 2009-06-18 US disclosed
US-20090148407-A1 Novel Macrocyclic Inhibitors of Hepatitis C Virus Replication INTERMUNE, INC. (US) 2009-06-11 US disclosed
US-20090148407-A1 Novel Macrocyclic Inhibitors of Hepatitis C Virus Replication INTERMUNE, INC. (US) 2009-06-11 US disclosed
WO-2008137779-A2 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2008-11-13 WO disclosed
US-20070054842-A1 Novel macrocyclic inhibitors of hepatitis C virus replication ARRAY BIOPHARMA, INC. 2007-03-08 US disclosed
US-20070054842-A1 Novel macrocyclic inhibitors of hepatitis C virus replication ARRAY BIOPHARMA, INC. 2007-03-08 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 (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-20090169510-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, HCCS CYP3A4 826/4885HDAC1 783/4885HDAC8 1537/4885
US-20070054842-A1 Novel macrocyclic inhibitors of hepatitis C virus replication EIF2AK2, HAVCR2, HCCS CYP3A4 826/4885HDAC1 783/4885HDAC8 1537/4885
US-20120208995-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, HCCS CYP3A4 826/4885HDAC1 783/4885HDAC8 1537/4885
US-20090148407-A1 Novel Macrocyclic Inhibitors of Hepatitis C Virus Replication EIF2AK2, HAVCR2, HCCS CYP3A4 755/4885HDAC1 666/4885HDAC8 1620/4885
US-20090155209-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, HCCS CYP3A4 1594/4885HDAC1 772/4885HDAC8 2406/4885

“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.