SCHEMBL3799809

SCHEMBL3799809

C=CCCCOC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](O)C[C@H]1C(=O)NC1(C(=O)O)CC1C=C

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.38
CTSB P07858 1/20 0.34
PPP3CB P16298 1/20 0.34
HDAC8 Q9BY41 2/20 0.33
HDAC1 Q13547 1/20 0.33

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
SCHEMBL3799814 1.00 CYP3A4 (0.38) CYP3A4CTSBPPP3CBHDAC8HDAC1
SCHEMBL12769438 1.00 CYP3A4 (0.38) CYP3A4CTSBPPP3CBHDAC8HDAC1
SCHEMBL12784431 0.93 CYP3A4 (0.35) CYP3A4CTSBPPP3CBHDAC1
SCHEMBL11984006 0.92 CYP3A4 (0.37) CYP3A4HDAC8HDAC1
SCHEMBL7939394 0.90 HDAC1 (0.40) CYP3A4CTSBPPP3CBHDAC8HDAC1
SCHEMBL3470046 0.89 CYP3A4 (0.37) CYP3A4CTSBPPP3CBHDAC8HDAC1
SCHEMBL12768163 0.89 CYP3A4 (0.37) CYP3A4CTSBPPP3CBHDAC8HDAC1
SCHEMBL3470049 0.89 CYP3A4 (0.37) CYP3A4CTSBPPP3CBHDAC8HDAC1
SCHEMBL3805728 0.87 CYP3A4 (0.36) CYP3A4CTSBPPP3CBHDAC8HDAC1
SCHEMBL3805730 0.87 CYP3A4 (0.36) CYP3A4CTSBPPP3CBHDAC8HDAC1

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 6 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
US-7829665-B2 Macrocyclic inhibitors of hepatitis C virus replication INTERMUNE, INC. (US) 2010-11-09 US 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 (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 CYP3A4 826/4885CTSB 550/4885PPP3CB 1215/4885
US-20070054842-A1 Novel macrocyclic inhibitors of hepatitis C virus replication EIF2AK2, HAVCR2, HCCS CYP3A4 826/4885CTSB 550/4885PPP3CB 1215/4885
US-20120208995-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, HCCS CYP3A4 826/4885CTSB 550/4885PPP3CB 1215/4885
US-20090148407-A1 Novel Macrocyclic Inhibitors of Hepatitis C Virus Replication EIF2AK2, HAVCR2, HCCS CYP3A4 755/4885CTSB 541/4885PPP3CB 1510/4885

“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.