SCHEMBL12607897

SCHEMBL12607897

CC(C)(C)OC(=O)N[C@H]1COCCCCCCC[C@@H](C(O)C(=O)NC2CC2)NC(=O)[C@@H]2[C@@H]3[C@H](CN2C1=O)C3(C)C

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CTSD P07339 4/20 0.40
▸ GAA P10253 1/20 0.36
▸ BACE1 P56817 5/20 0.35
▸ HDAC4 P56524 1/20 0.31
▸ HDAC1 Q13547 1/20 0.31
▸ HDAC6 Q9UBN7 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
SCHEMBL12856057 0.91 CTSD (0.37) CTSDGAABACE1
SCHEMBL8290344 0.89 CTSD (0.41) CTSDGAABACE1
SCHEMBL8289629 0.88 GAA (0.38) CTSDGAABACE1
SCHEMBL12607420 0.88 GAA (0.38) CTSDGAABACE1
SCHEMBL13685678 0.88 GAA (0.36) CTSDGAA
SCHEMBL8290692 0.88 GAA (0.36) CTSDGAA
SCHEMBL12608408 0.87 BACE1 (0.32) CTSDBACE1HDAC4HDAC1HDAC6
SCHEMBL8289601 0.86 GAA (0.38) CTSDGAA
SCHEMBL12607418 0.85 GAA (0.38) CTSDGAABACE1
SCHEMBL16349766 0.82 BACE1 (0.37) CTSDGAABACE1

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 3 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
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

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 CTSD 108/4885GAA 382/4885BACE1 392/4885

“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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