SCHEMBL4760840

SCHEMBL4760840

COCCN1C(=O)C[C@H](NC(=O)OC(C)(C)C)C1=O

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.45
HTR1A P08908 7/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
PYGL P06737 1/20 0.37

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
SCHEMBL9906478 0.86 GAA (0.45) GAAHTR1ANFKB1NFKB2RELA
SCHEMBL28523674 0.85 GAA (0.44) GAAHTR1ANFKB1NFKB2RELA
SCHEMBL29048169 0.82 HTR1A (0.50) HTR1A
SCHEMBL9906480 0.79 GAA (0.50) GAANFKB1NFKB2RELA
SCHEMBL319129 0.78 MMP1 (0.45) GAANFKB1NFKB2RELA
SCHEMBL319131 0.78 MMP1 (0.45) GAANFKB1NFKB2RELA
SCHEMBL22076255 0.77 CTSL (0.55) GAAHTR1A
SCHEMBL7422274 0.77 PYGL (0.41) GAAPYGL
SCHEMBL14864103 0.77 GAA (0.46) GAAHTR1A
SCHEMBL4760849 0.77 GAA (0.47) GAANFKB1NFKB2RELA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8524709-B2 Kinase inhibitor compounds TYROGENEX, INC. (US) 2013-09-03 US disclosed
US-8524709-B2 Kinase inhibitor compounds TYROGENEX, INC. (US) 2013-09-03 US disclosed
US-8198276-B2 Kinase inhibitor compounds XCOVERY HOLDING COMPANY LLC (US) 2012-06-12 US disclosed
US-20120115866-A1 KINASE INHIBITOR COMPOUNDS TYROGENEX, INC. (US) 2012-05-10 US disclosed
US-20120115866-A1 KINASE INHIBITOR COMPOUNDS TYROGENEX, INC. (US) 2012-05-10 US disclosed
US-8039470-B2 Kinase inhibitor compounds TYROGENEX, INC. (US) 2011-10-18 US disclosed
US-8039470-B2 Kinase inhibitor compounds TYROGENEX, INC. (US) 2011-10-18 US disclosed
US-20110224212-A1 KINASE INHIBITOR COMPOUNDS TYROGENEX, INC. (US) 2011-09-15 US disclosed
US-20110224212-A1 KINASE INHIBITOR COMPOUNDS TYROGENEX, INC. (US) 2011-09-15 US disclosed
US-20100261665-A1 Kinase inhibitor compounds XCOVERY, INC. (US) 2010-10-14 US disclosed
US-20100261665-A1 Kinase inhibitor compounds XCOVERY, INC. (US) 2010-10-14 US disclosed
US-20100144768-A1 KINASE INHIBITOR COMPOUNDS COMPASS HORIZON FUNDING COMPANY LLC 2010-06-10 US disclosed
US-7683057-B2 5-[5-fluoro-2-oxo-1,2-dihydro-indol-(3Z)-ylidenemethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid (1-acetyl-piperidin-4-yl)-amide; inhibition of 5' AMP-activated protein kinase (AMPK) TYROGENEX, INC. (US) 2010-03-23 US disclosed
US-7683057-B2 5-[5-fluoro-2-oxo-1,2-dihydro-indol-(3Z)-ylidenemethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid (1-acetyl-piperidin-4-yl)-amide; inhibition of 5' AMP-activated protein kinase (AMPK) TYROGENEX, INC. (US) 2010-03-23 US disclosed
US-20090076005-A1 Kinase inhibitor compounds XCOVERY, INC. (US) 2009-03-19 US disclosed
US-20090076005-A1 Kinase inhibitor compounds XCOVERY, INC. (US) 2009-03-19 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 (5 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-20090076005-A1 Kinase inhibitor compounds MAP3K1, MAP3K20, MAP3K2 GAA 694/4885HTR1A 4195/4885NFKB1 1059/4885
US-20120115866-A1 KINASE INHIBITOR COMPOUNDS MAP3K1, MAP3K20, MAP3K2 GAA 694/4885HTR1A 4195/4885NFKB1 1059/4885
US-20100144768-A1 KINASE INHIBITOR COMPOUNDS MAP3K9, MAP3K1, MAP3K8 GAA 1840/4885HTR1A 4443/4885NFKB1 663/4885
US-20100261665-A1 Kinase inhibitor compounds MAP3K1, MAP3K20, MAP3K2 GAA 694/4885HTR1A 4195/4885NFKB1 1059/4885
US-20110224212-A1 KINASE INHIBITOR COMPOUNDS MAP3K1, MAP3K20, MAP3K2 GAA 694/4885HTR1A 4195/4885NFKB1 1059/4885

“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.