SCHEMBL6698867

SCHEMBL6698867

C/C=C\[C@H]1C[C@H](C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)[C@H]1[C@H](CC(C)C)NC(C)=O

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.33
▸ CHRM2 P08172 1/20 0.31
▸ CHRM1 P11229 1/20 0.31
▸ CHRM3 P20309 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
SCHEMBL6697121 1.00 KMT2A (0.33) KMT2ACHRM2CHRM1CHRM3
SCHEMBL6700585 0.92 KMT2A (0.32) KMT2ACHRM2CHRM1CHRM3
SCHEMBL6693573 0.92 KMT2A (0.32) KMT2ACHRM2CHRM1CHRM3
SCHEMBL6695930 0.92 KMT2A (0.32) KMT2ACHRM2CHRM1CHRM3
SCHEMBL6696364 0.91 CHRM2 (0.32) KMT2ACHRM2CHRM1CHRM3
SCHEMBL6697689 0.91 CHRM2 (0.32) KMT2ACHRM2CHRM1CHRM3
SCHEMBL6698653 0.91 CHRM2 (0.32) KMT2ACHRM2CHRM1CHRM3
SCHEMBL6784303 0.90 CHRM2 (0.31) KMT2ACHRM2CHRM1CHRM3
SCHEMBL6694925 0.90 CHRM2 (0.33) KMT2ACHRM2CHRM1CHRM3
SCHEMBL6787065 0.90 CHRM2 (0.31) KMT2ACHRM2CHRM1CHRM3

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-6831096-B2 Effective against both A and B forms of influenza; oral bioavailability ABBOTT LABORATORIES 2004-12-14 — — US disclosed
US-20040097471-A1 Inhibitors of neuraminidases ABBVIE INC. 2004-05-20 — — US disclosed
US-6455571-B1 ESPECIALLY, INFLUENZA NEURAMINIDASE. ABBOTT LABORATORIES 2002-09-24 — — 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-20040097471-A1 Inhibitors of neuraminidases NEU1, NEU2, NEU4 KMT2A 3372/4885CHRM2 620/4885CHRM1 362/4885

“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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