SCHEMBL1768765

SCHEMBL1768765

CNCCC(=O)NCC(N)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFPT1 Q06210 1/20 0.44
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
SLC7A5 Q01650 1/20 0.41
SLC1A2 P43004 2/20 0.39
SLC1A1 P43005 2/20 0.39
NOD1 Q9Y239 1/20 0.37
GRM8 O00222 1/20 0.36
GRM6 O15303 1/20 0.36
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GSR P00390 1/20 0.36
CYP1A2 P05177 1/20 0.36
GRIK1 P39086 1/20 0.36
GRM5 P41594 1/20 0.36
GRIA1 P42261 1/20 0.36
GRIA2 P42262 1/20 0.36
GRIA3 P42263 1/20 0.36
SLC1A3 P43003 1/20 0.36
GRIA4 P48058 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
SCHEMBL1768761 1.00 GFPT1 (0.44) GFPT1ITGB3ITGA2BSLC7A5SLC1A2
SCHEMBL2238041 0.84 OTC (0.45) SLC7A5SLC1A2SLC1A1NOD1GRM8
SCHEMBL2238045 0.84 OTC (0.45) SLC7A5SLC1A2SLC1A1NOD1GRM8
SCHEMBL13585101 0.83 GFPT1 (0.45) GFPT1ITGB3ITGA2BSLC7A5SLC1A2
SCHEMBL13585097 0.83 GFPT1 (0.45) GFPT1ITGB3ITGA2BSLC7A5SLC1A2
SCHEMBL8237015 0.81 GFPT1 (0.46) GFPT1SLC7A5SLC1A2SLC1A1NOD1
SCHEMBL1768440 0.81 GFPT1 (0.46) GFPT1SLC7A5CASRPMP22
SCHEMBL1768439 0.81 GFPT1 (0.46) GFPT1SLC7A5CASRPMP22
SCHEMBL2237334 0.81 OTC (0.58) SLC1A2SLC1A1NOD1GRM8GRM6
SCHEMBL2237329 0.81 OTC (0.58) SLC1A2SLC1A1NOD1GRM8GRM6

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-102844327-B Template-fixed peptidomimetics with CXCR7 modulatory activity 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
CN-102844327-A Template-fixed peptidomimetics with CXCR7 modulatory activity POLYPHOR AG 2012-12-26 CN disclosed
US-20120283168-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CCR10 ANTAGONISTIC ACTIVITY POLYPHOR AG (CH) 2012-11-08 US disclosed
EP-2501715-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CCR10 ANTAGONISTIC ACTIVTY Polyphor Ag (CH) 2012-09-26 EP disclosed
WO-2011060937-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CCR10 ANTAGONISTIC ACTIVTY POLYPHOR AG (CH) 2011-05-26 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 3069/4885ITGB3 3255/4885ITGA2B 2174/4885
US-20150307556-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY CXCR1, CXCL12, CXCR6 GFPT1 1208/4885ITGB3 2339/4885ITGA2B 1867/4885
US-20130225506-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY CXCR1, CXCL12, CXCR6 GFPT1 1167/4885ITGB3 2108/4885ITGA2B 1709/4885

“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.