SCHEMBL7873713

SCHEMBL7873713

C=CCCCCC[C@H](Nc1ccccc1)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)C2CC2)C[C@H]1C=C

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.46
CYP3A4 P08684 2/20 0.46
CTSB P07858 1/20 0.44
PPP3CB P16298 1/20 0.44

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
SCHEMBL7873712 0.95 CTSS (0.46) CTSSCYP3A4CTSBPPP3CB
SCHEMBL7873736 0.94 CTSS (0.47) CTSSCYP3A4CTSBPPP3CB
SCHEMBL7874992 0.94 CTSS (0.45) CTSSCYP3A4CTSBPPP3CB
SCHEMBL7876843 0.93 CTSB (0.43) CTSSCYP3A4CTSBPPP3CB
SCHEMBL7875020 0.93 CYP3A4 (0.44) CTSSCYP3A4CTSBPPP3CB
SCHEMBL9978786 0.93 CTSS (0.48) CTSSCYP3A4CTSBPPP3CB
SCHEMBL9978716 0.93 CTSS (0.48) CTSSCYP3A4CTSBPPP3CB
SCHEMBL7876132 0.92 CYP3A4 (0.44) CTSSCYP3A4CTSBPPP3CB
SCHEMBL7872479 0.92 CTSS (0.44) CTSSCYP3A4CTSBPPP3CB
SCHEMBL9978806 0.91 CTSS (0.47) CTSSCYP3A4CTSBPPP3CB

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-8048862-B2 Macrocyclic inhibitors of hepatitis C virus replication INTERMUNE, INC. (US) 2011-11-01 US disclosed
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
US-20090269305-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2009-10-29 US 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 CTSS 659/4885CYP3A4 704/4885CTSB 486/4885
US-20110059047-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, ZC3HAV1 CTSS 659/4885CYP3A4 704/4885CTSB 486/4885

“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.