SCHEMBL8194226

SCHEMBL8194226

CC(C)(C)OC(=O)N[C@H]1CCCCCCCCC[C@H](B(O)O)NC(=O)[C@@H]2C[C@@H](OC(=O)N3Cc4cccc(F)c4C3)CN2C1=O

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ DDB1 Q16531 1/20 0.36
▸ CRBN Q96SW2 1/20 0.36
▸ SCN9A Q15858 6/20 0.32
▸ RAMP1 O60894 3/20 0.31
▸ CALCRL Q16602 3/20 0.31
▸ REN P00797 1/20 0.30
▸ BACE1 P56817 1/20 0.30

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
SCHEMBL13573774 0.92 REN (0.35) DDB1CRBNRAMP1CALCRLREN
SCHEMBL8190835 0.92 REN (0.35) DDB1CRBNRAMP1CALCRLREN
SCHEMBL26047191 0.92 REN (0.35) DDB1CRBNRAMP1CALCRLREN
SCHEMBL8190821 0.92 ADRB3 (0.30) SCN9A
SCHEMBL8190248 0.91 DDB1 (0.30) DDB1CRBN
SCHEMBL12770115 0.86 DDB1 (0.34) DDB1CRBNSCN9A
SCHEMBL8179857 0.85 DDB1 (0.36) DDB1CRBNSCN9ARAMP1CALCRL
SCHEMBL13757915 0.85 DDB1 (0.36) DDB1CRBNSCN9ARAMP1CALCRL
SCHEMBL3375539 0.85 DDB1 (0.36) DDB1CRBNSCN9ARAMP1CALCRL
SCHEMBL3375346 0.85 DDB1 (0.36) DDB1CRBNSCN9ARAMP1CALCRL

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 DDB1 3432/4885CRBN 2577/4885SCN9A 4784/4885

“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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