SCHEMBL3470979

SCHEMBL3470979

CCC(C)(C)OC(=O)N[C@H]1CCCCC/C=C\[C@@H]2C[C@@]2(C(=O)NS(=O)(=O)C2CC2)NC(=O)[C@@H]2C[C@@H](OC(=O)N3Cc4cccc(F)c4C3)CN2C1=O

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.39
▸ ADRB3 P13945 1/20 0.36
▸ ADRA2B P18089 1/20 0.36
▸ ADRA2C P18825 1/20 0.36
▸ CTSB P07858 1/20 0.35
▸ CTSS P25774 1/20 0.32

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
SCHEMBL3470983 1.00 CYP3A4 (0.39) CYP3A4ADRB3ADRA2BADRA2CCTSB
Danoprevir SCHEMBL23948382 0.95 CYP3A4 (0.39) CYP3A4ADRB3ADRA2BADRA2CCTSB
Danoprevir SCHEMBL7873481 0.95 CYP3A4 (0.39) CYP3A4ADRB3ADRA2BADRA2CCTSB
Danoprevir SCHEMBL10238838 0.95 CYP3A4 (0.39) CYP3A4ADRB3ADRA2BADRA2CCTSB
Danoprevir SCHEMBL1444650 0.95 CYP3A4 (0.39) CYP3A4ADRB3ADRA2BADRA2CCTSB
Danoprevir SCHEMBL12188232 0.95 CYP3A4 (0.39) CYP3A4ADRB3ADRA2BADRA2CCTSB
Danoprevir SCHEMBL11939425 0.95 CYP3A4 (0.39) CYP3A4ADRB3ADRA2BADRA2CCTSB
Danoprevir SCHEMBL6370805 0.95 CYP3A4 (0.39) CYP3A4ADRB3ADRA2BADRA2CCTSB
Danoprevir SCHEMBL17970113 0.95 CYP3A4 (0.39) CYP3A4ADRB3ADRA2BADRA2CCTSB
Danoprevir SCHEMBL11983895 0.95 CYP3A4 (0.39) CYP3A4ADRB3ADRA2BADRA2CCTSB

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
EP-2177523-A1 Novel macrocyclic inhibitors of hepatitis c virus replication Intermune, Inc. (US) 2010-04-21 — — EP disclosed
EP-2177523-A1 Novel macrocyclic inhibitors of hepatitis c virus replication Intermune, Inc. (US) 2010-04-21 — — EP disclosed
US-20090155209-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. 2009-06-18 — — US disclosed
US-20090155209-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. 2009-06-18 — — US disclosed
US-20090155209-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. 2009-06-18 — — 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 (1 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-20090155209-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, HCCS CYP3A4 1594/4885ADRB3 4329/4885ADRA2B 4524/4885

“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.

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