SCHEMBL8048757

SCHEMBL8048757

COC(=O)CNC(=O)C(O)[C@@H]1CCC/C=C\CC[C@H](NC(=O)OCC(C)C)C(=O)N2CCC[C@H]2C(=O)N1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ BIRC3 Q13489 3/20 0.34
▸ XIAP P98170 2/20 0.34
▸ BIRC2 Q13490 2/20 0.34
▸ TERF2 Q15554 6/20 0.33
▸ MMP1 P03956 1/20 0.32
▸ MMP3 P08254 1/20 0.32
▸ HDAC6 Q9UBN7 2/20 0.32
▸ HDAC3 O15379 1/20 0.32
▸ HDAC1 Q13547 1/20 0.32
▸ NTSR1 P30989 3/20 0.31
▸ HDAC4 P56524 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
SCHEMBL13685613 0.87 TERF2 (0.34) BIRC3XIAPBIRC2TERF2HDAC6
SCHEMBL13685682 0.74 TERF2 (0.36) BIRC3XIAPBIRC2TERF2NTSR1
SCHEMBL13685681 0.73 TERF2 (0.34) BIRC3XIAPBIRC2TERF2
SCHEMBL13685775 0.72 HDAC1 (0.42) BIRC3XIAPBIRC2TERF2HDAC6
SCHEMBL13685776 0.71 TERF2 (0.41) BIRC3XIAPBIRC2TERF2HDAC6
SCHEMBL13685773 0.68 TERF2 (0.33) BIRC3XIAPBIRC2TERF2HDAC6
SCHEMBL13685734 0.68 TERF2 (0.32) BIRC3XIAPBIRC2TERF2
SCHEMBL1645089 0.66 F2 (0.37) BIRC3XIAPBIRC2TERF2HDAC6
SCHEMBL13685777 0.66 HDAC6 (0.33) BIRC3XIAPBIRC2TERF2MMP3
SCHEMBL1655875 0.66 BIRC3 (0.38) BIRC3XIAPBIRC2TERF2HDAC6

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-20110150835-A1 Macrocyclic Inhibitors of Hepatitis C Virus NS3 Serine Protease SCHERING CORPORATION 2011-06-23 — — US disclosed
EP-1664092-B1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS NS3 SERINE PROTEASE SCHERING CORP (US) 2011-02-02 — — EP disclosed
US-7592419-B2 Macrocyclic inhibitors of hepatitis C virus NS3-serine protease SCHERING CORPORATION (US) 2009-09-22 — — US disclosed
US-7592419-B2 Macrocyclic inhibitors of hepatitis C virus NS3-serine protease SCHERING CORPORATION (US) 2009-09-22 — — US disclosed
WO-2009058856-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS NS3 SERINE PROTEASE SCHERING CORPORATION (US) 2009-05-07 — — WO disclosed
WO-2005030796-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS NS3 SERINE PROTEASE SCHERING CORPORATION (US) 2005-04-07 — — WO 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-20110150835-A1 Macrocyclic Inhibitors of Hepatitis C Virus NS3 Serine Protease TMPRSS15, SPINT2, HPN BIRC3 193/4885XIAP 136/4885BIRC2 474/4885

“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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