SCHEMBL4698131

SCHEMBL4698131

CC(C)(C)OC(=O)N[C@H]1CC(=O)N(OCc2ccccc2)C1=O

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
AKT1 P31749 1/20 0.42
SCN9A Q15858 4/20 0.41
GAA P10253 1/20 0.41
CTSL P07711 1/20 0.40
SYK P43405 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA7 P43166 1/20 0.40
CA14 Q9ULX7 1/20 0.40
PPARA Q07869 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
KLK5 Q9Y337 1/20 0.39

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
SCHEMBL4700532 1.00 KMT2A (0.47) KMT2AL3MBTL1AKT1SCN9AGAA
SCHEMBL4816939 0.90 SCN9A (0.48) KMT2AL3MBTL1SCN9A
SCHEMBL4817994 0.90 SCN9A (0.48) KMT2AL3MBTL1SCN9A
SCHEMBL24379309 0.90 SCN9A (0.48) KMT2AL3MBTL1SCN9A
SCHEMBL7420003 0.87 SCN9A (0.47) KMT2AL3MBTL1SCN9ACA12CA1
SCHEMBL19135097 0.82 KMT2A (0.47) KMT2AL3MBTL1AKT1SCN9ACTSL
SCHEMBL7723389 0.82 KMT2A (0.47) KMT2AL3MBTL1AKT1SCN9ACTSL
SCHEMBL26317923 0.82 KMT2A (0.45) KMT2AL3MBTL1GAACTSLSYK
SCHEMBL29048164 0.81 SMN1; SMN2 (0.57) KMT2AL3MBTL1SCN9AGAA
SCHEMBL9655226 0.81 KMT2A (0.48) KMT2AL3MBTL1AKT1SCN9ACTSL

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
EP-1444202-B1 NOVEL METALLOPROTEINASE INHIBITORS ASTRAZENECA AB (SE) 2008-10-15 EP disclosed
US-7132434-B2 Metalloproteinase inhibitors ASTRAZENECA AB (SE) 2006-11-07 US disclosed
US-20050026990-A1 Novel metalloproteinase ihibitors ASTRAZENECA AB (SE) 2005-02-03 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-20050026990-A1 Novel metalloproteinase ihibitors MMP12, MMP1, MMP16 KMT2A 2085/4885L3MBTL1 3869/4885AKT1 4023/4885

“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.