SCHEMBL9906478

SCHEMBL9906478

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

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.45
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
HTR1A P08908 6/20 0.38
F2 P00734 1/20 0.36
F10 P00742 1/20 0.36
PRSS1 P07477 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL28523674 0.88 GAA (0.44) GAANFKB1NFKB2RELAHTR1A
SCHEMBL4760840 0.86 GAA (0.45) GAANFKB1NFKB2RELAHTR1A
SCHEMBL14001130 0.85 HTR1A (0.36) GAAHTR1AALDH1A1
SCHEMBL9906480 0.81 GAA (0.50) GAANFKB1NFKB2RELAALDH1A1
SCHEMBL7418257 0.80 PYGL (0.52)
SCHEMBL29048164 0.78 SMN1; SMN2 (0.57) GAAALDH1A1
SCHEMBL29048158 0.78 ALDH1A1 (0.45) GAAALDH1A1
SCHEMBL4760868 0.77 GAA (0.45) GAANFKB1NFKB2RELAF2
SCHEMBL21384512 0.77 GAA (0.36) GAANFKB1NFKB2RELAHTR1A
SCHEMBL29048169 0.77 HTR1A (0.50) HTR1AALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8198276-B2 Kinase inhibitor compounds XCOVERY HOLDING COMPANY LLC (US) 2012-06-12 US disclosed
US-20100144768-A1 KINASE INHIBITOR COMPOUNDS COMPASS HORIZON FUNDING COMPANY LLC 2010-06-10 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-20100144768-A1 KINASE INHIBITOR COMPOUNDS MAP3K9, MAP3K1, MAP3K8 GAA 1840/4885NFKB1 663/4885NFKB2 763/4885

“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.