SCHEMBL7873440

SCHEMBL7873440

C=CCCCCC[C@H](Nc1cc(F)cc(OC(F)(F)F)c1)C(=O)N1C[C@H](Oc2cc(-c3nc(C(C)C)cs3)nc3c(C)c(OC)ccc23)C[C@H]1C(=O)N[C@]1(C(=O)NS(=O)(=O)C2(C)CC2)C[C@H]1C=C

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSB P07858 1/20 0.42
PPP3CB P16298 1/20 0.42
CYP3A4 P08684 2/20 0.38
CTSS P25774 1/20 0.36
ABCC1 P33527 1/20 0.32
ABCC2 Q92887 1/20 0.32
ABCG2 Q9UNQ0 1/20 0.32
ELANE P08246 1/20 0.31
KCNH2 Q12809 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
SCHEMBL7876319 0.95 CTSB (0.42) CTSBPPP3CBCYP3A4CTSSABCC1
SCHEMBL7873456 0.95 CTSB (0.41) CTSBPPP3CBCYP3A4CTSSABCC1
SCHEMBL7868337 0.94 CTSB (0.41) CTSBPPP3CBCYP3A4CTSSABCC1
SCHEMBL7872521 0.94 CTSB (0.43) CTSBPPP3CBCYP3A4CTSSABCC1
SCHEMBL12793989 0.93 CTSB (0.41) CTSBPPP3CBCYP3A4CTSSABCC1
SCHEMBL12793991 0.93 CTSB (0.40) CTSBPPP3CBCYP3A4CTSSABCC1
SCHEMBL7872514 0.92 CTSB (0.41) CTSBPPP3CBCYP3A4CTSSABCC1
SCHEMBL10069281 0.92 CTSB (0.47) CTSBPPP3CBCYP3A4CTSSABCC1
SCHEMBL7946492 0.92 CTSB (0.47) CTSBPPP3CBCYP3A4CTSSABCC1
SCHEMBL7872634 0.92 CTSB (0.42) CTSBPPP3CBCYP3A4CTSSABCC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8048862-B2 Macrocyclic inhibitors of hepatitis C virus replication INTERMUNE, INC. (US) 2011-11-01 US disclosed
US-20110059047-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2011-03-10 US disclosed
WO-2009142842-A9 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2010-11-25 WO disclosed
WO-2009142842-A2 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2009-11-26 WO disclosed
US-20090269305-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2009-10-29 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-20090269305-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, ZC3HAV1 CTSB 486/4885PPP3CB 1214/4885CYP3A4 704/4885
US-20110059047-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, ZC3HAV1 CTSB 486/4885PPP3CB 1214/4885CYP3A4 704/4885

“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.