SCHEMBL3057589

SCHEMBL3057589

COC(=O)N[C@H](C(=O)N1CCCC1c1nc2ccc3cc(C#Cc4cc(F)c5nc([C@@H]6CCCN6C(=O)[C@H](C(C)C)N(C)C(=O)O)[nH]c5c4)ccc3c2[nH]1)C(C)C

nearest known ligand 0.49

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.46

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
SCHEMBL3057580 1.00 CYP3A4 (0.46) CYP3A4
SCHEMBL2281513 0.92 CYP3A4 (0.49) CYP3A4
SCHEMBL2281500 0.92 CYP3A4 (0.49) CYP3A4
SCHEMBL3056360 0.87 CYP3A4 (0.32) CYP3A4
SCHEMBL3056356 0.87 CYP3A4 (0.32) CYP3A4
SCHEMBL14563073 0.87 CYP3A4 (0.47) CYP3A4
SCHEMBL12373820 0.86 CYP3A4 (0.54) CYP3A4
SCHEMBL12069145 0.86 CYP3A4 (0.53) CYP3A4
SCHEMBL1481104 0.85 CYP3A4 (0.48) CYP3A4
SCHEMBL1481099 0.85 CYP3A4 (0.48) CYP3A4

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-20100215616-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2010-08-26 US claimed

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-20100215616-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS CYP3A4 1107/4885

“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.