SCHEMBL319129

SCHEMBL319129

COCCN1CC[C@H](NC(=O)OC(C)(C)C)C1=O

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 5/20 0.45
MMP3 P08254 5/20 0.45
F2 P00734 1/20 0.45
F10 P00742 1/20 0.45
PRSS1 P07477 1/20 0.45
GAA P10253 1/20 0.42
FPR2 P25090 1/20 0.41
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
CTSK P43235 2/20 0.38
DRD2 P14416 1/20 0.36
KCNA3 P22001 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
SCHEMBL319131 1.00 MMP1 (0.45) MMP1MMP3F2F10PRSS1
SCHEMBL15132460 0.93 F2 (0.52) MMP1MMP3F2F10PRSS1
SCHEMBL4760690 0.87 F2 (0.46) F2F10PRSS1GAAFPR2
SCHEMBL7373906 0.86 F2 (0.48) F2F10PRSS1GAAFPR2
SCHEMBL4089318 0.84 F2 (0.43) MMP1MMP3F2F10PRSS1
SCHEMBL4089316 0.84 F2 (0.43) MMP1MMP3F2F10PRSS1
SCHEMBL2463051 0.84 F2 (0.43) MMP1MMP3F2F10PRSS1
SCHEMBL10264999 0.84 F2 (0.47) F2F10PRSS1GAAFPR2
SCHEMBL8234664 0.83 F2 (0.50) MMP1MMP3F2F10PRSS1
SCHEMBL8234659 0.83 F2 (0.50) MMP1MMP3F2F10PRSS1

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 23 patents — showing the first 20. 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-20130190289-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-07-25 US disclosed
US-20130190289-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-07-25 US disclosed
US-20130190289-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-07-25 US disclosed
EP-2585447-A2 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS Vertex Pharmaceuticals Incorporated (US) 2013-05-01 EP disclosed
US-8198276-B2 Kinase inhibitor compounds XCOVERY HOLDING COMPANY LLC (US) 2012-06-12 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-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-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-20090076005-A1 Kinase inhibitor compounds XCOVERY, INC. (US) 2009-03-19 US disclosed
WO-2008153942-A1 KINASE INHIBITOR COMPOUNDS XCOVERY, INC. (US) 2008-12-18 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 (6 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 MMP1 3517/4885MMP3 2896/4885F2 4532/4885
US-20120115866-A1 KINASE INHIBITOR COMPOUNDS MAP3K1, MAP3K20, MAP3K2 MMP1 3517/4885MMP3 2896/4885F2 4532/4885
US-20100144768-A1 KINASE INHIBITOR COMPOUNDS MAP3K9, MAP3K1, MAP3K8 MMP1 3395/4885MMP3 2839/4885F2 4581/4885
US-20100261665-A1 Kinase inhibitor compounds MAP3K1, MAP3K20, MAP3K2 MMP1 3517/4885MMP3 2896/4885F2 4532/4885
US-20110224212-A1 KINASE INHIBITOR COMPOUNDS MAP3K1, MAP3K20, MAP3K2 MMP1 3517/4885MMP3 2896/4885F2 4532/4885
US-20130190289-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS SLC10A1, ACE, CEL MMP1 706/4885MMP3 1085/4885F2 598/4885

“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.