SCHEMBL6696347

SCHEMBL6696347

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

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ CTSS P25774 6/20 0.34
▸ CTSK P43235 4/20 0.34
▸ CTSB P07858 2/20 0.34
▸ CTSL P07711 1/20 0.34
▸ JAK1 P23458 2/20 0.33
▸ JAK2 O60674 1/20 0.33
▸ GPR119 Q8TDV5 1/20 0.33
▸ ACE P12821 2/20 0.32
▸ SYK P43405 1/20 0.32
▸ ACACB O00763 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ TSHR P16473 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ CYP3A4 P08684 2/20 0.32
▸ KDM4E B2RXH2 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
SCHEMBL6698726 1.00 KMT2A (0.39) KMT2AL3MBTL1CTSSCTSKCTSB
SCHEMBL6697066 0.87 KMT2A (0.41) KMT2AL3MBTL1CTSLGPR119ACE
SCHEMBL6700665 0.87 KMT2A (0.41) KMT2AL3MBTL1CTSLGPR119ACE
SCHEMBL6693629 0.87 KMT2A (0.41) KMT2AL3MBTL1GPR119ACESYK
SCHEMBL6693641 0.86 KMT2A (0.42) KMT2AL3MBTL1GPR119ACESYK
SCHEMBL6696348 0.86 KMT2A (0.40) KMT2AL3MBTL1CTSLGPR119ACE
SCHEMBL6698042 0.86 KMT2A (0.40) KMT2AL3MBTL1ALDH1A1TSHRCYP3A4
SCHEMBL6697946 0.86 KMT2A (0.39) KMT2AL3MBTL1CTSSCTSKCTSB
SCHEMBL6697910 0.85 KMT2A (0.38) KMT2AL3MBTL1CTSLGPR119ACE
SCHEMBL7026630 0.85 KMT2A (0.38) KMT2AL3MBTL1CTSLGPR119ACE

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 3963/4885CTSS 124/4885

“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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