SCHEMBL1769669

SCHEMBL1769669

COCCNS(=O)(=O)NCC[C@H](N)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDAH1 O94760 2/20 0.42
PMP22 Q01453 1/20 0.42
CA12 O43570 2/20 0.41
CA14 Q9ULX7 2/20 0.41
SLC1A1 P43005 2/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
GCLC P48506 1/20 0.37
GRM8 O00222 3/20 0.37
GRM6 O15303 3/20 0.37
GRM4 Q14833 3/20 0.37
ALDH1A1 P00352 1/20 0.37
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GSR P00390 1/20 0.36
CYP1A2 P05177 1/20 0.36
GRIK1 P39086 1/20 0.36
GRM5 P41594 1/20 0.36
GRIA1 P42261 1/20 0.36
GRIA2 P42262 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
SCHEMBL1769672 1.00 DDAH1 (0.42) DDAH1PMP22CA12CA14SLC1A1
SCHEMBL1769599 0.87 CA12 (0.44) DDAH1PMP22CA12CA14SLC1A1
SCHEMBL1769603 0.87 CA12 (0.44) DDAH1PMP22CA12CA14SLC1A1
SCHEMBL1769615 0.84 PMP22 (0.46) DDAH1PMP22SLC1A1GCLCGRM8
SCHEMBL1769617 0.84 PMP22 (0.46) DDAH1PMP22SLC1A1GCLCGRM8
SCHEMBL13585194 0.80 PMP22 (0.47) PMP22SLC1A1GCLCGRM8GRM6
SCHEMBL13585190 0.80 PMP22 (0.47) PMP22SLC1A1GCLCGRM8GRM6
SCHEMBL1769359 0.80 PMP22 (0.43) PMP22SLC1A1GCLCGRM8GRM6
SCHEMBL1769355 0.80 PMP22 (0.43) PMP22SLC1A1GCLCGRM8GRM6
SCHEMBL1769565 0.80 GSR (0.47) PMP22SLC1A1GCLCGRM8GRM6

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 (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 DDAH1 3491/4885PMP22 1622/4885CA12 1013/4885

“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.