SCHEMBL6698778

SCHEMBL6698778

CC(=O)N[C@@H](CC(C)C)[C@H]1[C@H](C(=O)C=[N+]=[N-])C[C@H](C(=O)OC(C)(C)C)N1Cc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ MAPK1 P28482 1/20 0.33
▸ ACACB O00763 4/20 0.33
▸ HTRA1 Q92743 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ CTSL P07711 1/20 0.32
▸ GPR119 Q8TDV5 1/20 0.32
▸ REN P00797 2/20 0.32
▸ ACE P12821 2/20 0.31
▸ TRPM8 Q7Z2W7 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
SCHEMBL6701855 0.92 KMT2A (0.36) KMT2AL3MBTL1ACACBHTRA1CTSL
SCHEMBL7170579 0.90 ACE (0.37) ACACBACE
SCHEMBL6693830 0.85 KMT2A (0.39) KMT2AL3MBTL1MAPK1HTRA1MEN1
SCHEMBL6698365 0.83 KMT2A (0.41) KMT2AL3MBTL1MAPK1MEN1NPSR1
SCHEMBL6700665 0.79 KMT2A (0.41) KMT2AL3MBTL1MAPK1HTRA1CTSL
SCHEMBL6697066 0.79 KMT2A (0.41) KMT2AL3MBTL1MAPK1HTRA1CTSL
SCHEMBL6698042 0.79 KMT2A (0.40) KMT2AL3MBTL1TRPM8
SCHEMBL6696722 0.78 KMT2A (0.39) KMT2AL3MBTL1MAPK1ACACBHTRA1
SCHEMBL6704197 0.78 KMT2A (0.42) KMT2AL3MBTL1CTSL
SCHEMBL6697044 0.77 KMT2A (0.39) KMT2AL3MBTL1MAPK1HTRA1CTSL

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 7 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
EP-1358154-A2 PYRROLIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS INHIBITORS OF NEURAMINIDASES Abbott Laboratories (US) 2003-11-05 — — EP disclosed
EP-1315698-A1 PYRROLIDINES AS INHIBITORS OF NEURAMINIDASES ABBOTT LABORATORIES (US) 2003-06-04 — — EP disclosed
US-6455571-B1 ESPECIALLY, INFLUENZA NEURAMINIDASE. ABBOTT LABORATORIES 2002-09-24 — — US disclosed
WO-2001028996-A2 PYRROLIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS INHIBITORS OF NEURAMINIDASES ABBOTT LABORATORIES (US) 2001-04-26 — — WO disclosed
WO-1999054299-A1 PYRROLIDINES AS INHIBITORS OF NEURAMINIDASES ABBOTT LABORATORIES (US) 1999-10-28 — — 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-20040097471-A1 Inhibitors of neuraminidases NEU1, NEU2, NEU4 KMT2A 3372/4885L3MBTL1 3963/4885MAPK1 1082/4885

“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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