SCHEMBL6697829

SCHEMBL6697829

CCC(CC)C[C@H](NC(C)=O)[C@H]1[C@H](NC(=O)OCC[Si](C)(C)C)C[C@H](C(=O)OC(C)(C)C)N1Cc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ SYK P43405 1/20 0.33
▸ BCHE P06276 1/20 0.32
▸ ACHE P22303 1/20 0.32
▸ CTSL P07711 1/20 0.31
▸ GPR119 Q8TDV5 1/20 0.31
▸ SCD O00767 1/20 0.31
▸ ACE P12821 1/20 0.30
▸ ALDH1A1 P00352 2/20 0.30
▸ CPB1 P15086 1/20 0.30
▸ ADORA3 P0DMS8 1/20 0.30
▸ ADORA2A P29274 1/20 0.30
▸ ADORA2B P29275 1/20 0.30
▸ ADORA1 P30542 1/20 0.30
▸ SCN9A Q15858 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ MAPK1 P28482 1/20 0.30

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
SCHEMBL7168137 1.00 KMT2A (0.38) KMT2AL3MBTL1SYKBCHEACHE
SCHEMBL6697354 0.90 SYK (0.41) KMT2AL3MBTL1SYKCTSLALDH1A1
SCHEMBL6787767 0.90 KMT2A (0.40) KMT2AL3MBTL1SYKBCHEACHE
SCHEMBL6696742 0.89 KMT2A (0.42) KMT2AL3MBTL1SYKCTSLGPR119
SCHEMBL6693641 0.88 KMT2A (0.42) KMT2AL3MBTL1SYKGPR119ACE
SCHEMBL6704197 0.82 KMT2A (0.42) KMT2AL3MBTL1SYKCTSLCPB1
SCHEMBL7170460 0.81 CPB1 (0.40) KMT2ACTSLACEALDH1A1CPB1
SCHEMBL6697066 0.81 KMT2A (0.41) KMT2AL3MBTL1SYKCTSLGPR119
SCHEMBL6700665 0.81 KMT2A (0.41) KMT2AL3MBTL1SYKCTSLGPR119
SCHEMBL6693629 0.81 KMT2A (0.41) KMT2AL3MBTL1SYKGPR119ACE

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 3963/4885SYK 2089/4885

“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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