SCHEMBL1645219

SCHEMBL1645219

COC(=O)C(CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])NC(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 1/20 0.47
GSTM2 P28161 1/20 0.47
ALDH1A1 P00352 4/20 0.46
TSHR P16473 1/20 0.46
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
MMP1 P03956 1/20 0.45
MMP2 P08253 1/20 0.45
MMP9 P14780 1/20 0.45
MMP8 P22894 1/20 0.45
MMP13 P45452 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
THRB P10828 1/20 0.43
CYP19A1 P11511 1/20 0.42
NPY5R Q15761 3/20 0.42
LMNA P02545 2/20 0.42
BCL2 P10415 2/20 0.41
HTT P42858 1/20 0.41
MCL1 Q07820 1/20 0.41

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
SCHEMBL1645223 1.00 GSTP1 (0.47) GSTP1GSTM2ALDH1A1TSHRCA1
SCHEMBL5147914 0.91 ALDH1A1 (0.55) ALDH1A1TSHRCA1CA2MMP1
SCHEMBL2239712 0.90 GSTP1 (0.48) GSTP1GSTM2ALDH1A1CA1CA2
SCHEMBL2239710 0.90 GSTP1 (0.48) GSTP1GSTM2ALDH1A1CA1CA2
SCHEMBL25354891 0.88 KMT2A (0.48) ALDH1A1TSHRCA1CA2MMP1
SCHEMBL1646038 0.85 KMT2A (0.48) ALDH1A1CA1CA2MMP1MMP2
SCHEMBL1646035 0.85 KMT2A (0.48) ALDH1A1CA1CA2MMP1MMP2
SCHEMBL30299133 0.85 KMT2A (0.46) ALDH1A1TSHRCA1CA2MMP1
SCHEMBL20556384 0.84 CA1 (0.45) GSTP1GSTM2ALDH1A1CA1CA2
SCHEMBL20556383 0.84 CA1 (0.45) GSTP1GSTM2ALDH1A1CA1CA2

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 10 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
EP-2305695-A2 Macrocyclic inhibitors of Hepatitis C virus replication Intermune, Inc. (US) 2011-04-06 EP disclosed
EP-2305697-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
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 (3 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 GSTP1 2307/4885GSTM2 2998/4885ALDH1A1 2539/4885
US-20070054842-A1 Novel macrocyclic inhibitors of hepatitis C virus replication EIF2AK2, HAVCR2, HCCS GSTP1 2307/4885GSTM2 2998/4885ALDH1A1 2539/4885
US-20090148407-A1 Novel Macrocyclic Inhibitors of Hepatitis C Virus Replication EIF2AK2, HAVCR2, HCCS GSTP1 2344/4885GSTM2 3245/4885ALDH1A1 2173/4885

“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.