SCHEMBL1646286

SCHEMBL1646286

CC1CCCN1NS(N)(=O)=O

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.38
KCNH2 Q12809 5/20 0.36
HRH3 Q9Y5N1 5/20 0.36
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA12 O43570 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
GLA P06280 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL1645143 0.94 CA1 (0.38) ACHEKCNH2HRH3CA1CA2
SCHEMBL1644228 0.75 ACHE (0.45) ACHEKCNH2HRH3CA1CA2
SCHEMBL7355626 0.74 PSEN1 (0.38) ACHECA1CA2CA12CA7
SCHEMBL1644230 0.73 ACHE (0.35) ACHECA1CA2CA12CA7
SCHEMBL3789002 0.72 HDAC8 (0.36) KCNH2HRH3
SCHEMBL1644189 0.72 HDAC8 (0.36) KCNH2HRH3
SCHEMBL1644148 0.72 HDAC8 (0.36) KCNH2HRH3
SCHEMBL7866847 0.71 HSD11B1 (0.35) ACHECA1CA2CA12CA7
SCHEMBL1647204 0.71 PSEN1 (0.39) KCNH2CA1CA2LMNAMAPT
SCHEMBL24733071 0.69

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 13 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-2305698-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
US-7829665-B2 Macrocyclic inhibitors of hepatitis C virus replication INTERMUNE, INC. (US) 2010-11-09 US 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-20090148407-A1 Novel Macrocyclic Inhibitors of Hepatitis C Virus Replication INTERMUNE, INC. (US) 2009-06-11 US disclosed
EP-1924594-A2 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION Intermune, Inc. (US) 2008-05-28 EP disclosed
US-20070054842-A1 Novel macrocyclic inhibitors of hepatitis C virus replication ARRAY BIOPHARMA, INC. 2007-03-08 US disclosed
WO-2007015824-A2 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2007-02-08 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 (4 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 ACHE 4019/4885KCNH2 4278/4885HRH3 4414/4885
US-20070054842-A1 Novel macrocyclic inhibitors of hepatitis C virus replication EIF2AK2, HAVCR2, HCCS ACHE 4019/4885KCNH2 4278/4885HRH3 4414/4885
US-20120208995-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, HCCS ACHE 4019/4885KCNH2 4278/4885HRH3 4414/4885
US-20090148407-A1 Novel Macrocyclic Inhibitors of Hepatitis C Virus Replication EIF2AK2, HAVCR2, HCCS ACHE 3921/4885KCNH2 4239/4885HRH3 4334/4885

“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.