SCHEMBL13585140

SCHEMBL13585140

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ HIF1A Q16665 1/20 0.47
▸ OTC P00480 1/20 0.45
▸ PAOX Q6QHF9 3/20 0.44
▸ GRIK1 P39086 4/20 0.43
▸ ADRA1A P35348 1/20 0.43
▸ SLC7A5 Q01650 1/20 0.39
▸ GRIK2 Q13002 2/20 0.39
▸ NOD1 Q9Y239 1/20 0.39
▸ FOLH1 Q04609 1/20 0.39
▸ SLC1A3 P43003 1/20 0.37
▸ SLC1A2 P43004 1/20 0.37
▸ SLC1A1 P43005 1/20 0.37
▸ GRM1 Q13255 1/20 0.37
▸ GRM2 Q14416 1/20 0.37
▸ GRIA4 P48058 1/20 0.37
▸ GRIK3 Q13003 1/20 0.37
▸ GRIK5 Q16478 1/20 0.37
▸ L3MBTL1 Q9Y468 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
SCHEMBL13585143 1.00 KDM4E (0.47) KDM4EMAPK1HIF1AOTCPAOX
SCHEMBL1769330 0.83 OTC (0.50) KDM4EMAPK1HIF1AOTCPAOX
SCHEMBL1769334 0.83 OTC (0.50) KDM4EMAPK1HIF1AOTCPAOX
SCHEMBL1768889 0.81 GSR (0.48) OTCPAOXGRIK1SLC7A5GRIK2
SCHEMBL1768892 0.81 GSR (0.48) OTCPAOXGRIK1SLC7A5GRIK2
SCHEMBL10074561 0.81 NOD1 (0.45) KDM4EMAPK1HIF1AOTCPAOX
SCHEMBL24696810 0.81 CASP2 (0.55) GRIK1GRIK2NOD1SLC1A2SLC1A1
SCHEMBL733986 0.81 CASP2 (0.55) GRIK1GRIK2NOD1SLC1A2SLC1A1
SCHEMBL750775 0.81 CASP2 (0.55) GRIK1GRIK2NOD1SLC1A2SLC1A1
SCHEMBL17451658 0.80 GSR (0.52) OTCPAOXGRIK1GRIK2SLC1A3

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 7 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
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
US-20120283168-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CCR10 ANTAGONISTIC ACTIVITY POLYPHOR AG (CH) 2012-11-08 — — 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 (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 KDM4E 4722/4885MAPK1 1997/4885HIF1A 491/4885
US-20150307556-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY CXCR1, CXCL12, CXCR6 KDM4E 4660/4885MAPK1 2479/4885HIF1A 75/4885
US-20130225506-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY CXCR1, CXCL12, CXCR6 KDM4E 4606/4885MAPK1 2334/4885HIF1A 58/4885

“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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