SCHEMBL8189130

SCHEMBL8189130

CC(C)(C)OC(=O)N[C@H]1C/C=C\CCCCCC[C@H](B2OC3CC4CC(C4(C)C)C3(C)O2)NC(=O)[C@@H]2C[C@@H](OC(=O)N3Cc4ccccc4C3)CN2C1=O

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PREP P48147 10/20 0.34
▸ FAP Q12884 1/20 0.34
▸ PSMB5 P28074 5/20 0.33
▸ F2 P00734 3/20 0.31
▸ PRSS1 P07477 3/20 0.31
▸ F10 P00742 1/20 0.31
▸ F7 P08709 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
SCHEMBL13573875 1.00 PREP (0.34) PREPFAPPSMB5F2PRSS1
SCHEMBL8191092 0.94 PREP (0.36) PREPFAPPSMB5F2PRSS1
SCHEMBL8191736 0.94 PREP (0.36) PREPFAPPSMB5F2PRSS1
SCHEMBL13573876 0.94 PREP (0.36) PREPFAPPSMB5F2PRSS1
SCHEMBL13336391 0.94 FAP (0.35) PREPFAPPSMB5F2PRSS1
SCHEMBL13363192 0.94 FAP (0.35) PREPFAPPSMB5F2PRSS1
SCHEMBL8189656 0.93 FAP (0.35) PREPFAPPSMB5F2PRSS1
SCHEMBL13336393 0.91 FAP (0.36) PREPFAPPSMB5F2PRSS1
SCHEMBL13363332 0.91 FAP (0.36) PREPFAPPSMB5F2PRSS1
SCHEMBL8201674 0.91 FAP (0.36) PREPFAPPSMB5F2PRSS1

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-20100120716-A1 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS AND USES THEREFOR PHENOMIX CORPORATION (US) 2010-05-13 — — US disclosed
US-20100120716-A1 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS AND USES THEREFOR PHENOMIX CORPORATION (US) 2010-05-13 — — US disclosed
WO-2008070733-A2 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS AND USES THEREFOR PHENOMIX CORPORATION (US) 2008-06-12 — — 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-20100120716-A1 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS AND USES THEREFOR PREP, HPN, PEPD PREP 1/4885FAP 31/4885PSMB5 1237/4885

“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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