SCHEMBL1769579

SCHEMBL1769579

CC(=O)NCCNS(=O)(=O)CC(N)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 1/20 0.40
PMP22 Q01453 1/20 0.36
MAPK1 P28482 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HIF1A Q16665 1/20 0.35
GCLC P48506 1/20 0.35
PAOX Q6QHF9 2/20 0.34
CASR P41180 1/20 0.34
KYNU Q16719 2/20 0.33
GRIK1 P39086 1/20 0.33
ADRA1A P35348 1/20 0.33
SLC7A5 Q01650 1/20 0.33
TSHR P16473 1/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
ALDH1A1 P00352 1/20 0.32
PTGS1 P23219 1/20 0.31
SLC7A11 Q9UPY5 1/20 0.31

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
SCHEMBL1769577 1.00 NOS2 (0.40) NOS2PMP22MAPK1KDM4EHIF1A
SCHEMBL13585053 0.85 PMP22 (0.46) NOS2PMP22MAPK1KDM4EHIF1A
SCHEMBL13585054 0.85 PMP22 (0.46) NOS2PMP22MAPK1KDM4EHIF1A
SCHEMBL13584717 0.79 PTGS1 (0.40) NOS2PMP22GCLCKYNUGRIK1
SCHEMBL13584719 0.79 PTGS1 (0.40) NOS2PMP22GCLCKYNUGRIK1
SCHEMBL13585692 0.79 KYNU (0.37) NOS2PMP22GCLCKYNUGRIK1
SCHEMBL13585689 0.79 KYNU (0.37) NOS2PMP22GCLCKYNUGRIK1
SCHEMBL1769392 0.79 CASR (0.39) NOS2PMP22MAPK1KDM4EHIF1A
SCHEMBL13585264 0.79 PMP22 (0.42) NOS2PMP22MAPK1KDM4EHIF1A
SCHEMBL1769388 0.79 CASR (0.39) NOS2PMP22MAPK1KDM4EHIF1A

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 NOS2 4664/4885PMP22 1622/4885MAPK1 1997/4885

“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.