SCHEMBL1768469

SCHEMBL1768469

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

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GFPT1 Q06210 1/20 0.50
▸ DDAH1 O94760 1/20 0.45
▸ TSHR P16473 1/20 0.42
▸ SLC1A1 P43005 2/20 0.40
▸ CASR P41180 2/20 0.39
▸ SLC1A2 P43004 1/20 0.38
▸ P2RY10 O00398 1/20 0.38
▸ GPR174 Q9BXC1 1/20 0.38
▸ ITGB3 P05106 1/20 0.38
▸ ITGA2B P08514 1/20 0.38
▸ GRIN3B O60391 1/20 0.37
▸ GRIN1 Q05586 1/20 0.37
▸ GRIN2C Q14957 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
SCHEMBL1768470 1.00 GFPT1 (0.50) GFPT1DDAH1TSHRSLC1A1CASR
SCHEMBL2236422 0.83 DDAH1 (0.50) DDAH1TSHRSLC1A1SLC1A2GRIN3B
SCHEMBL2236418 0.83 DDAH1 (0.50) DDAH1TSHRSLC1A1SLC1A2GRIN3B
SCHEMBL2238970 0.80 OTC (0.59) DDAH1TSHRSLC1A1SLC1A2GRIN3B
SCHEMBL2238971 0.80 OTC (0.59) DDAH1TSHRSLC1A1SLC1A2GRIN3B
SCHEMBL8237015 0.79 GFPT1 (0.46) GFPT1DDAH1SLC1A1SLC1A2P2RY10
SCHEMBL13585101 0.78 GFPT1 (0.45) GFPT1SLC1A1CASRSLC1A2ITGB3
SCHEMBL13585097 0.78 GFPT1 (0.45) GFPT1SLC1A1CASRSLC1A2ITGB3
SCHEMBL13584359 0.77 GFPT1 (0.49) GFPT1DDAH1CASR
SCHEMBL13584361 0.77 GFPT1 (0.49) GFPT1DDAH1CASR

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
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
EP-2501715-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CCR10 ANTAGONISTIC ACTIVTY Polyphor Ag (CH) 2012-09-26 — — EP 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
WO-2011060937-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CCR10 ANTAGONISTIC ACTIVTY 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 3069/4885DDAH1 3491/4885TSHR 963/4885
US-20150307556-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY CXCR1, CXCL12, CXCR6 GFPT1 1208/4885DDAH1 2944/4885TSHR 1019/4885
US-20130225506-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY CXCR1, CXCL12, CXCR6 GFPT1 1167/4885DDAH1 2912/4885TSHR 1105/4885

“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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