SCHEMBL6697249

SCHEMBL6697249

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 2/20 0.39
▸ SYK P43405 1/20 0.39
▸ KMT2A Q03164 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ CTSL P07711 2/20 0.34
▸ GPR119 Q8TDV5 1/20 0.34
▸ CPB2 Q96IY4 1/20 0.33
▸ CCR5 P51681 2/20 0.33
▸ FKBP1A P62942 2/20 0.33
▸ ADORA3 P0DMS8 1/20 0.33
▸ ADORA2A P29274 1/20 0.33
▸ ADORA2B P29275 1/20 0.33
▸ ADORA1 P30542 1/20 0.33
▸ ACE P12821 1/20 0.32
▸ CTSB P07858 1/20 0.32
▸ CTSS P25774 1/20 0.32
▸ CTSK P43235 1/20 0.32
▸ HTR2C P28335 2/20 0.32
▸ HTR1A P08908 1/20 0.32
▸ CHRM5 P08912 1/20 0.32

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
SCHEMBL7166861 0.92 SIGMAR1 (0.41) SIGMAR1SYKKMT2ACTSLCCR5
SCHEMBL6697720 0.89 SIGMAR1 (0.41) SIGMAR1SYKKMT2AL3MBTL1CTSL
SCHEMBL7684379 0.89 SIGMAR1 (0.41) SIGMAR1SYKKMT2AL3MBTL1CTSL
SCHEMBL6985200 0.88 SIGMAR1 (0.36) SIGMAR1KMT2ACTSLCTSBCTSS
SCHEMBL6702380 0.86 SIGMAR1 (0.43) SIGMAR1SYKKMT2AL3MBTL1CTSL
SCHEMBL6704199 0.85 SYK (0.43) SYKKMT2AL3MBTL1CTSLGPR119
SCHEMBL6697681 0.84 SIGMAR1 (0.41) SIGMAR1SYKKMT2AL3MBTL1CTSL
SCHEMBL6698368 0.82 KMT2A (0.39) SYKKMT2AL3MBTL1GPR119CPB2
SCHEMBL6697245 0.77 SIGMAR1 (0.40) SIGMAR1SYKKMT2AL3MBTL1CTSL
SCHEMBL6990877 0.77 SIGMAR1 (0.38) SIGMAR1CTSLCCR5CTSBCTSS

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 3896/4885SYK 2089/4885KMT2A 3372/4885

“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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