SCHEMBL1769560

SCHEMBL1769560

NCCCNS(=O)(=O)NC[C@H](N)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GSR P00390 1/20 0.44
CA12 O43570 4/20 0.36
CA14 Q9ULX7 4/20 0.36
CA7 P43166 3/20 0.36
CA9 Q16790 2/20 0.36
CA2 P00918 2/20 0.35
CA1 P00915 1/20 0.35
PMP22 Q01453 1/20 0.33
CASR P41180 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
PTGS1 P23219 1/20 0.32
SLC7A11 Q9UPY5 1/20 0.32
RRM1 P23921 1/20 0.32
GFPT1 Q06210 1/20 0.32

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
SCHEMBL13584711 1.00 GSR (0.44) GSRCA12CA14CA7CA9
SCHEMBL1769680 0.89 PTGS1 (0.39) GSRCA12CA14CA7CA9
SCHEMBL1769684 0.89 PTGS1 (0.39) GSRCA12CA14CA7CA9
SCHEMBL13584867 0.86 GSR (0.53) GSRPMP22
SCHEMBL13584863 0.86 GSR (0.53) GSRPMP22
SCHEMBL1769605 0.82 CA12 (0.38) GSRCA12CA14CA7CA9
SCHEMBL1769608 0.82 CA12 (0.38) GSRCA12CA14CA7CA9
SCHEMBL1769497 0.81 CA12 (0.42) CA12CA14CA7CA9CA2
SCHEMBL1769336 0.81 CA12 (0.37) CA12CA14CA7CA9CA2
SCHEMBL13585152 0.81 CA12 (0.37) CA12CA14CA7CA9CA2

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 GSR 4018/4885CA12 1013/4885CA14 1146/4885

“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.