SCHEMBL13059692

SCHEMBL13059692

CCCNS(=O)(=O)NC(=O)[C@@]12C[C@H]1/C=C\CCCCCC(NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)N2

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.35
▸ F2 P00734 1/20 0.34
▸ F10 P00742 1/20 0.34
▸ PRSS1 P07477 1/20 0.34
▸ ADRB3 P13945 1/20 0.33
▸ ADRA2B P18089 1/20 0.33
▸ ADRA2C P18825 1/20 0.33
▸ CTSB P07858 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
SCHEMBL8243845 1.00 CYP3A4 (0.35) CYP3A4F2F10PRSS1ADRB3
SCHEMBL11976325 0.94 CYP3A4 (0.36) CYP3A4F2F10PRSS1ADRB3
SCHEMBL13059693 0.94 CYP3A4 (0.36) CYP3A4F2F10PRSS1ADRB3
SCHEMBL13059745 0.92 CYP3A4 (0.34) CYP3A4F2F10PRSS1ADRB3
SCHEMBL11984068 0.92 CYP3A4 (0.34) CYP3A4F2F10PRSS1ADRB3
SCHEMBL13059696 0.91 ADRB3 (0.36) CYP3A4F2F10PRSS1ADRB3
SCHEMBL8245103 0.91 ADRB3 (0.36) CYP3A4F2F10PRSS1ADRB3
SCHEMBL11984053 0.91 BIRC3 (0.35) CYP3A4F2ADRB3ADRA2BADRA2C
SCHEMBL11976321 0.91 CYP3A4 (0.35) CYP3A4F2F10PRSS1ADRB3
SCHEMBL12807925 0.90 CYP3A4 (0.34) CYP3A4F2F10PRSS1ADRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7829665-B2 Macrocyclic inhibitors of hepatitis C virus replication INTERMUNE, INC. (US) 2010-11-09 — — 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 (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-20070054842-A1 Novel macrocyclic inhibitors of hepatitis C virus replication EIF2AK2, HAVCR2, HCCS CYP3A4 826/4885F2 582/4885F10 2678/4885

“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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