SCHEMBL1768580

SCHEMBL1768580

N[C@@H](CCS(=O)(=O)N1CCNCC1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PMP22 Q01453 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ GCLC P48506 1/20 0.38
▸ GSR P00390 2/20 0.37
▸ GRM8 O00222 1/20 0.37
▸ GRM6 O15303 1/20 0.37
▸ GRIN2D O15399 1/20 0.37
▸ GRIN3B O60391 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ GRIK1 P39086 1/20 0.37
▸ GRM5 P41594 1/20 0.37
▸ GRIA1 P42261 1/20 0.37
▸ GRIA2 P42262 1/20 0.37
▸ GRIA3 P42263 1/20 0.37
▸ SLC1A3 P43003 1/20 0.37
▸ SLC1A2 P43004 1/20 0.37
▸ SLC1A1 P43005 1/20 0.37
▸ GRIA4 P48058 1/20 0.37
▸ GRIN1 Q05586 1/20 0.37
▸ GRIN2A Q12879 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
SCHEMBL13585760 1.00 PMP22 (0.43) PMP22KMT2AGCLCGSRGRM8
SCHEMBL13585075 0.85 KMT2A (0.44) PMP22KMT2AGCLCGSRGRM8
SCHEMBL13585073 0.85 KMT2A (0.44) PMP22KMT2AGCLCGSRGRM8
SCHEMBL13585377 0.84 PMP22 (0.47) PMP22KMT2AGCLCGSRGRM8
SCHEMBL1768638 0.84 PMP22 (0.47) PMP22KMT2AGCLCGSRGRM8
SCHEMBL1768504 0.84 PMP22 (0.47) PMP22KMT2AGCLCGSRGRM8
SCHEMBL13585245 0.84 PMP22 (0.47) PMP22KMT2AGCLCGSRGRM8
SCHEMBL13584948 0.83 DPP7 (0.47) PMP22KMT2AGCLCGSRGRM8
SCHEMBL1768482 0.83 DPP7 (0.47) PMP22KMT2AGCLCGSRGRM8
SCHEMBL1768702 0.80 PMP22 (0.47) PMP22KMT2AGCLCGSRGRM8

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 4 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
EP-2501715-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CCR10 ANTAGONISTIC ACTIVTY Polyphor Ag (CH) 2012-09-26 — — EP 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 PMP22 1622/4885KMT2A 3431/4885GCLC 1500/4885

“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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