SCHEMBL2237956

SCHEMBL2237956

COCCNCC(N)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GFPT1 Q06210 1/20 0.45
▸ DDAH1 O94760 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ SLC1A1 P43005 2/20 0.39
▸ SLC7A5 Q01650 1/20 0.38
▸ ATM Q13315 1/20 0.37
▸ SLC1A3 P43003 1/20 0.36
▸ SLC1A2 P43004 1/20 0.36
▸ PTGER4 P35408 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ HPGD P15428 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
SCHEMBL2237950 1.00 GFPT1 (0.45) GFPT1DDAH1ALDH1A1TSHRSLC1A1
SCHEMBL19750589 0.85 ALDH1A1 (0.39) DDAH1ALDH1A1TSHRATMCYP3A4
SCHEMBL13584361 0.80 GFPT1 (0.49) GFPT1DDAH1SLC7A5HPGD
SCHEMBL13584359 0.80 GFPT1 (0.49) GFPT1DDAH1SLC7A5HPGD
SCHEMBL14218149 0.78 ANPEP (0.52) GFPT1SLC1A1SLC7A5SLC1A3SLC1A2
SCHEMBL1769599 0.78 CA12 (0.44) GFPT1DDAH1ALDH1A1TSHRSLC1A1
SCHEMBL1769603 0.78 CA12 (0.44) GFPT1DDAH1ALDH1A1TSHRSLC1A1
SCHEMBL17434128 0.76 PTGS1 (0.50) GFPT1ALDH1A1SLC1A1SLC7A5SLC1A3
SCHEMBL7270272 0.75 GSR (0.50) GFPT1ALDH1A1SLC1A1SLC7A5SLC1A3
SCHEMBL8892460 0.75 GSR (0.48) ALDH1A1SLC1A1SLC1A3SLC1A2

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 13 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
WO-2016133967-A2 SODIUM CHANNEL BLOCKERS FOR SKIN DISORDERS PARION SCIENCES, INC. (US) 2016-08-25 — — WO 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
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
WO-2011095607-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY POLYPHOR AG (CH) 2011-08-11 — — 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 3491/4885ALDH1A1 3484/4885
US-20150307556-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY CXCR1, CXCL12, CXCR6 GFPT1 1208/4885DDAH1 2944/4885ALDH1A1 1674/4885
US-20130225506-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY CXCR1, CXCL12, CXCR6 GFPT1 1167/4885DDAH1 2912/4885ALDH1A1 1610/4885

“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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