SCHEMBL1769494

SCHEMBL1769494

NC(CC(=O)NCCC(CO)CO)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OTC P00480 1/20 0.41
▸ SLC1A1 P43005 4/20 0.41
▸ SLC1A3 P43003 3/20 0.37
▸ SLC1A2 P43004 3/20 0.37
▸ GGT1 P19440 4/20 0.37
▸ GRIK1 P39086 4/20 0.37
▸ GRIK2 Q13002 3/20 0.37
▸ GRM1 Q13255 2/20 0.37
▸ GRM2 Q14416 2/20 0.37
▸ SLC7A5 Q01650 1/20 0.35
▸ GRM8 O00222 1/20 0.35
▸ GRM6 O15303 1/20 0.35
▸ GRIN2D O15399 1/20 0.35
▸ GRIN3B O60391 1/20 0.35
▸ GSR P00390 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ GRM5 P41594 1/20 0.35
▸ GRIA1 P42261 1/20 0.35
▸ GRIA2 P42262 1/20 0.35
▸ GRIA3 P42263 1/20 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
SCHEMBL1769488 1.00 OTC (0.41) OTCSLC1A1SLC1A3SLC1A2GGT1
SCHEMBL1768395 0.84 SLC1A1 (0.47) OTCSLC1A1SLC1A3SLC1A2GRIK1
SCHEMBL1768400 0.84 SLC1A1 (0.47) OTCSLC1A1SLC1A3SLC1A2GRIK1
SCHEMBL7188599 0.81 OTC (0.42) OTCSLC1A1SLC1A3SLC1A2GGT1
SCHEMBL1512927 0.81 OTC (0.42) OTCSLC1A1SLC1A3SLC1A2GGT1
SCHEMBL13585541 0.80 GSR (0.41) OTCSLC1A1SLC1A3SLC1A2GGT1
SCHEMBL13585535 0.80 GSR (0.41) OTCSLC1A1SLC1A3SLC1A2GGT1
SCHEMBL13585299 0.77 GFPT1 (0.41) SLC1A1GGT1SLC7A5
SCHEMBL13585296 0.77 GFPT1 (0.41) SLC1A1GGT1SLC7A5
SCHEMBL1768732 0.77 OTC (0.42) OTCSLC1A1SLC1A3SLC1A2GGT1

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 10 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
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-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
CN-102712676-A Template-fixed peptidomimetics with CCR10 antagonistic activty POLYPHOR AG 2012-10-03 — — CN 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 (2 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-20150307556-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY CXCR1, CXCL12, CXCR6 OTC 3226/4885SLC1A1 832/4885SLC1A3 748/4885
US-20130225506-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY CXCR1, CXCL12, CXCR6 OTC 3134/4885SLC1A1 736/4885SLC1A3 634/4885

“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.

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