SCHEMBL1769499

SCHEMBL1769499

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

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GFPT1 Q06210 1/20 0.37
DDAH1 O94760 2/20 0.34
CASR P41180 3/20 0.33
PMP22 Q01453 1/20 0.33
LIPG Q9Y5X9 1/20 0.32
GSTO1 P78417 1/20 0.32
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
SLC1A1 P43005 1/20 0.32
SLC7A5 Q01650 2/20 0.31
BHMT Q93088 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
SCHEMBL13585419 0.86 DDAH1 (0.38) DDAH1PMP22LIPGGSTO1NOS3
SCHEMBL1769337 0.83 PMP22 (0.35) GFPT1CASRPMP22NOS3NOS1
SCHEMBL13584917 0.81 NOS2 (0.36) GFPT1CASRPMP22NOS3NOS1
SCHEMBL13585238 0.77 PMP22 (0.40) GFPT1CASRPMP22NOS3NOS1
SCHEMBL13585241 0.77 PMP22 (0.40) GFPT1CASRPMP22NOS3NOS1
SCHEMBL13585153 0.77 DDAH1 (0.36) DDAH1PMP22LIPGGSTO1NOS3
SCHEMBL13585156 0.77 DDAH1 (0.36) DDAH1PMP22LIPGGSTO1NOS3
SCHEMBL13585040 0.76 PMP22 (0.45) DDAH1PMP22NOS3NOS1NOS2
SCHEMBL13585042 0.76 PMP22 (0.45) DDAH1PMP22NOS3NOS1NOS2
SCHEMBL1769603 0.74 CA12 (0.44) GFPT1DDAH1CASRPMP22SLC1A1

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 GFPT1 3069/4885DDAH1 3491/4885CASR 469/4885

“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.