SCHEMBL6704197

SCHEMBL6704197

CC(=O)N[C@@H](CC(C)C)[C@H]1[C@H](NC(=O)OCc2ccccc2)C[C@H](C(=O)OC(C)(C)C)N1Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ CPB1 P15086 1/20 0.40
▸ CTSK P43235 13/20 0.40
▸ CTSL P07711 5/20 0.40
▸ CTSS P25774 2/20 0.40
▸ CTSB P07858 1/20 0.39
▸ SYK P43405 1/20 0.38
▸ ADORA3 P0DMS8 1/20 0.38
▸ ADORA2A P29274 1/20 0.38
▸ ADORA2B P29275 1/20 0.38
▸ ADORA1 P30542 1/20 0.38

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
SCHEMBL6697354 0.92 SYK (0.41) KMT2AL3MBTL1CPB1CTSKCTSL
SCHEMBL6699865 0.88 KMT2A (0.44) KMT2AL3MBTL1CPB1CTSKCTSL
SCHEMBL6702210 0.88 KMT2A (0.44) KMT2AL3MBTL1CPB1CTSKCTSL
SCHEMBL6697245 0.84 SIGMAR1 (0.40) KMT2AL3MBTL1CTSKCTSLCTSS
SCHEMBL6696742 0.84 KMT2A (0.42) KMT2AL3MBTL1CTSLSYK
SCHEMBL6693641 0.83 KMT2A (0.42) KMT2AL3MBTL1SYK
SCHEMBL7170460 0.82 CPB1 (0.40) KMT2ACPB1CTSKCTSLCTSS
SCHEMBL7168137 0.82 KMT2A (0.38) KMT2AL3MBTL1CPB1CTSLSYK
SCHEMBL6697829 0.82 KMT2A (0.38) KMT2AL3MBTL1CPB1CTSLSYK
SCHEMBL6787767 0.82 KMT2A (0.40) KMT2AL3MBTL1CPB1CTSLSYK

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 3372/4885L3MBTL1 3963/4885CPB1 140/4885

“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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