SCHEMBL1768840

SCHEMBL1768840

N[C@@H](CNS(N)(=O)=O)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.41
SLC7A11 Q9UPY5 1/20 0.41
PMP22 Q01453 2/20 0.41
GSR P00390 2/20 0.38
GRIK1 P39086 2/20 0.38
SLC1A1 P43005 2/20 0.38
GRIK2 Q13002 2/20 0.38
GRM1 Q13255 2/20 0.38
GRM2 Q14416 2/20 0.38
SLC7A5 Q01650 1/20 0.38
GRM8 O00222 1/20 0.38
GRM6 O15303 1/20 0.38
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
CYP1A2 P05177 1/20 0.38
GRM5 P41594 1/20 0.38
GRIA1 P42261 1/20 0.38
GRIA2 P42262 1/20 0.38
GRIA3 P42263 1/20 0.38
SLC1A3 P43003 1/20 0.38

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
SCHEMBL1768843 1.00 PTGS1 (0.41) PTGS1SLC7A11PMP22GSRGRIK1
SCHEMBL28961753 0.82 PTGS1 (0.41) PTGS1SLC7A11PMP22GSRGRIK1
SCHEMBL1823399 0.82 PTGS1 (0.41) PTGS1SLC7A11PMP22GSRGRIK1
SCHEMBL31688971 0.80 PMP22 (0.48) PTGS1SLC7A11PMP22GSRGRIK1
SCHEMBL8441119 0.80 PMP22 (0.48) PTGS1SLC7A11PMP22GSRGRIK1
SCHEMBL8441116 0.80 PMP22 (0.48) PTGS1SLC7A11PMP22GSRGRIK1
SCHEMBL1768513 0.78 PMP22 (0.42) PTGS1SLC7A11PMP22GSRGRIK1
SCHEMBL1768791 0.78 PMP22 (0.47) PMP22GSRGRIK1SLC1A1GRIK2
SCHEMBL1768793 0.78 PMP22 (0.47) PMP22GSRGRIK1SLC1A1GRIK2
SCHEMBL28095430 0.78 PMP22 (0.42) PTGS1SLC7A11PMP22GSRGRIK1

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
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
US-8754038-B2 Template-fixed peptidomimetics with CCR10 antagonistic activity POLYPHOR AG (CH) 2014-06-17 US disclosed
US-20120283168-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CCR10 ANTAGONISTIC ACTIVITY POLYPHOR AG (CH) 2012-11-08 US disclosed
CN-102712676-A Template-fixed peptidomimetics with CCR10 antagonistic activty POLYPHOR AG 2012-10-03 CN disclosed
EP-2501715-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CCR10 ANTAGONISTIC ACTIVTY Polyphor Ag (CH) 2012-09-26 EP 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 (1 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 PTGS1 1952/4885SLC7A11 424/4885PMP22 1622/4885

“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.