SCHEMBL1769337

SCHEMBL1769337

CN(C)CCN(C)S(=O)(=O)NC[C@H](N)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PMP22 Q01453 1/20 0.35
ALDH1A1 P00352 1/20 0.34
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
CASR P41180 4/20 0.33
GFPT1 Q06210 1/20 0.33
SLC7A5 Q01650 1/20 0.32
BHMT Q93088 1/20 0.32
ANPEP P15144 1/20 0.32
GCLC P48506 1/20 0.31
PTGS1 P23219 1/20 0.31
SLC7A11 Q9UPY5 1/20 0.31
SLC1A3 P43003 1/20 0.30
SLC1A2 P43004 1/20 0.30
SLC1A1 P43005 1/20 0.30

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
SCHEMBL13584917 0.91 NOS2 (0.36) PMP22ALDH1A1NOS3NOS1NOS2
SCHEMBL13584542 0.84 PMP22 (0.40) PMP22ALDH1A1NOS3NOS1NOS2
SCHEMBL1769499 0.83 GFPT1 (0.37) PMP22NOS3NOS1NOS2CASR
SCHEMBL13585241 0.81 PMP22 (0.40) PMP22ALDH1A1NOS3NOS1NOS2
SCHEMBL13585238 0.81 PMP22 (0.40) PMP22ALDH1A1NOS3NOS1NOS2
SCHEMBL13585191 0.77 ALDH1A1 (0.42) PMP22ALDH1A1NOS3NOS1NOS2
SCHEMBL1769542 0.77 ALDH1A1 (0.42) PMP22ALDH1A1NOS3NOS1NOS2
SCHEMBL13584179 0.76 NOS2 (0.40) PMP22ALDH1A1NOS3NOS1NOS2
SCHEMBL1769336 0.75 CA12 (0.37) PMP22ALDH1A1NOS3NOS1NOS2
SCHEMBL13585152 0.75 CA12 (0.37) PMP22ALDH1A1NOS3NOS1NOS2

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 PMP22 1622/4885ALDH1A1 3484/4885NOS3 4757/4885

“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.