SCHEMBL6697245

SCHEMBL6697245

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

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 1/20 0.40
▸ CTSK P43235 8/20 0.37
▸ CTSL P07711 5/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ CTSB P07858 3/20 0.37
▸ CTSS P25774 3/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ MEN1 O00255 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ ADORA3 P0DMS8 1/20 0.35
▸ ADORA2A P29274 1/20 0.35
▸ ADORA2B P29275 1/20 0.35
▸ ADORA1 P30542 1/20 0.35
▸ SYK P43405 1/20 0.34

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
SCHEMBL7025882 0.92 SIGMAR1 (0.42) SIGMAR1CTSKCTSLCTSBCTSS
SCHEMBL7166857 0.92 SIGMAR1 (0.42) SIGMAR1CTSKCTSLCTSBCTSS
SCHEMBL7684372 0.86 SIGMAR1 (0.42) SIGMAR1CTSKCTSLKMT2ACTSB
SCHEMBL6697716 0.86 SIGMAR1 (0.42) SIGMAR1CTSKCTSLKMT2ACTSB
SCHEMBL6704197 0.84 KMT2A (0.42) CTSKCTSLKMT2ACTSBCTSS
SCHEMBL6702372 0.82 SIGMAR1 (0.43) SIGMAR1CTSKCTSLKMT2ACTSB
SCHEMBL6698365 0.81 KMT2A (0.41) KMT2AL3MBTL1MEN1MAPK1NPSR1
SCHEMBL6693830 0.80 KMT2A (0.39) KMT2AL3MBTL1MEN1MAPK1NPSR1
SCHEMBL6697678 0.79 SIGMAR1 (0.43) SIGMAR1CTSKCTSLKMT2ACTSB
SCHEMBL6702380 0.79 SIGMAR1 (0.43) SIGMAR1CTSKCTSLKMT2ACTSB

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 SIGMAR1 3896/4885CTSK 239/4885CTSL 378/4885

“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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