SCHEMBL13798453

SCHEMBL13798453

CC(C)(C)OC(=O)N[C@H]1CCCCC[C@@H]2C[C@@H]2[C@@H]2C[C@@]2(C(=O)NS(=O)(=O)C2(C)CC2)NC(=O)[C@@H]2C[C@@H](OC(=O)N3Cc4cccc(F)c4C3)CN2C1=O

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.39
▸ DDB1 Q16531 1/20 0.31
▸ CRBN Q96SW2 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
SCHEMBL13798455 1.00 CYP3A4 (0.39) CYP3A4DDB1CRBN
SCHEMBL7877471 0.93 CYP3A4 (0.40) CYP3A4DDB1CRBN
SCHEMBL13798460 0.92 CYP3A4 (0.32) CYP3A4DDB1CRBN
SCHEMBL13798459 0.92 CYP3A4 (0.32) CYP3A4DDB1CRBN
SCHEMBL13798448 0.90 DDB1 (0.34) DDB1CRBN
SCHEMBL13798452 0.90 DDB1 (0.34) DDB1CRBN
SCHEMBL13798458 0.90 DDB1 (0.34) DDB1CRBN
SCHEMBL13798457 0.89 CYP3A4 (0.33) CYP3A4
SCHEMBL12844643 0.89 CYP3A4 (0.47) CYP3A4DDB1CRBN
SCHEMBL8378647 0.89 CYP3A4 (0.47) CYP3A4DDB1CRBN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090155209-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. 2009-06-18 — — 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-20090155209-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, HCCS CYP3A4 1594/4885DDB1 499/4885CRBN 1884/4885

“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.

Send feedback