SCHEMBL1769707

SCHEMBL1769707

CC(C)(N)CC(=O)NC[C@H](N)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GFPT1 Q06210 1/20 0.44
CASR P41180 4/20 0.37
SLC7A5 Q01650 1/20 0.36
GRIK1 P39086 1/20 0.36
GRIN3B O60391 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2C Q14957 1/20 0.35
PMP22 Q01453 1/20 0.35
BHMT Q93088 3/20 0.35

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
SCHEMBL1769709 1.00 GFPT1 (0.44) GFPT1CASRSLC7A5GRIK1GRIN3B
SCHEMBL2237587 0.82 OTC (0.44) GRIK1GRIN3BGRIN1GRIN2CPMP22
SCHEMBL2237590 0.82 OTC (0.44) GRIK1GRIN3BGRIN1GRIN2CPMP22
SCHEMBL2238075 0.80 OTC (0.56) BHMT
SCHEMBL2238069 0.80 OTC (0.56) BHMT
SCHEMBL1768678 0.79 GFPT1 (0.41) GFPT1CASRGRIN3BGRIN1GRIN2C
SCHEMBL1768680 0.79 GFPT1 (0.41) GFPT1CASRGRIN3BGRIN1GRIN2C
SCHEMBL1768905 0.76 GFPT1 (0.49) GFPT1CASRSLC7A5GRIK1PMP22
SCHEMBL1768908 0.76 GFPT1 (0.49) GFPT1CASRSLC7A5GRIK1PMP22
SCHEMBL12600510 0.74 GFPT1 (0.46) GFPT1CASRSLC7A5GRIK1GRIN3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9637520-B2 Template-fixed peptidomimetics with CXCR7 modulating activity POLYPHOR AG (CH) 2017-05-02 US disclosed
CN-102712676-B There is the peptidomimetic that the template of CCR10 antagonistic activity is fixing 波利弗尔股份公司 2016-10-26 CN disclosed
EP-2531520-B1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY POLYPHOR AG (CH) 2016-05-11 EP disclosed
US-20150307556-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY POLYPHOR AG (CH) 2015-10-29 US disclosed
US-9109009-B2 Template-fixed peptidomimetics with CXCR7 modulating activity POLYPHOR AG (CH) 2015-08-18 US disclosed
US-8754038-B2 Template-fixed peptidomimetics with CCR10 antagonistic activity POLYPHOR AG (CH) 2014-06-17 US disclosed
US-20130225506-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY POLYPHOR AG (CH) 2013-08-29 US disclosed
EP-2531520-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY Polyphor AG (CH) 2012-12-12 EP disclosed
US-20120283168-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CCR10 ANTAGONISTIC ACTIVITY POLYPHOR AG (CH) 2012-11-08 US disclosed
CN-102712676-A Template-fixed peptidomimetics with CCR10 antagonistic activty POLYPHOR AG 2012-10-03 CN disclosed
WO-2011095607-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY POLYPHOR AG (CH) 2011-08-11 WO disclosed
WO-2011060832-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CCR10 ANTAGONISTIC ACTIVITY POLYPHOR AG (CH) 2011-05-26 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 (3 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-20120283168-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CCR10 ANTAGONISTIC ACTIVITY CCR10, CCR1, CCRL2 GFPT1 3069/4885CASR 469/4885SLC7A5 1767/4885
US-20150307556-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY CXCR1, CXCL12, CXCR6 GFPT1 1208/4885CASR 913/4885SLC7A5 760/4885
US-20130225506-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY CXCR1, CXCL12, CXCR6 GFPT1 1167/4885CASR 935/4885SLC7A5 677/4885

“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.