SCHEMBL1769809

SCHEMBL1769809

NC(CNS(=O)(=O)NCC(F)(F)F)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PMP22 Q01453 1/20 0.33
CASR P41180 3/20 0.33
PTGS1 P23219 1/20 0.32
SLC7A11 Q9UPY5 1/20 0.32
GFPT1 Q06210 1/20 0.32
ALDH1A1 P00352 1/20 0.32
NOS2 P35228 2/20 0.31
KYNU Q16719 2/20 0.31
GRB2 P62993 1/20 0.31
SLC7A5 Q01650 1/20 0.31
GRM8 O00222 1/20 0.31
GRM6 O15303 1/20 0.31
GRIN2D O15399 1/20 0.31
GRIN3B O60391 1/20 0.31
GSR P00390 1/20 0.31
CYP1A2 P05177 1/20 0.31
GRIK1 P39086 1/20 0.31
GRM5 P41594 1/20 0.31
GRIA1 P42261 1/20 0.31
GRIA2 P42262 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
SCHEMBL1769806 1.00 PMP22 (0.33) PMP22CASRPTGS1SLC7A11GFPT1
SCHEMBL13583194 0.83 PMP22 (0.39) PMP22ALDH1A1NOS2GRM8GRM6
SCHEMBL13583192 0.83 PMP22 (0.39) PMP22ALDH1A1NOS2GRM8GRM6
SCHEMBL13585455 0.77 NOS2 (0.35) PMP22PTGS1SLC7A11NOS2KYNU
SCHEMBL27888832 0.77 SLC7A5 (0.35) PMP22CASRPTGS1SLC7A11GFPT1
SCHEMBL1768824 0.77 SLC7A5 (0.35) PMP22CASRPTGS1SLC7A11GFPT1
SCHEMBL13585460 0.77 NOS2 (0.35) PMP22PTGS1SLC7A11NOS2KYNU
SCHEMBL8442840 0.77 CA2 (0.37) PMP22CASRPTGS1SLC7A11GFPT1
SCHEMBL1769366 0.77 CA12 (0.50) PMP22PTGS1SLC7A11GFPT1ALDH1A1
SCHEMBL8722447 0.77 CA2 (0.37) PMP22CASRPTGS1SLC7A11GFPT1

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
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
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 PMP22 1622/4885CASR 469/4885PTGS1 1952/4885

“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.