SCHEMBL1769366

SCHEMBL1769366

CC(C)CNS(=O)(=O)NCC(N)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.50
CA7 P43166 3/20 0.50
CA9 Q16790 3/20 0.50
CA14 Q9ULX7 3/20 0.50
SLC7A5 Q01650 1/20 0.47
SLC1A3 P43003 4/20 0.43
SLC1A2 P43004 4/20 0.43
SLC1A1 P43005 4/20 0.43
PMP22 Q01453 1/20 0.40
CA2 P00918 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
GFPT1 Q06210 1/20 0.38
ALDH1A1 P00352 1/20 0.36
ATM Q13315 1/20 0.36
GRIK1 P39086 2/20 0.36
GRIK2 Q13002 1/20 0.36
PTGS1 P23219 1/20 0.35
SLC7A11 Q9UPY5 1/20 0.35

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
SCHEMBL1769363 1.00 CA12 (0.50) CA12CA7CA9CA14SLC7A5
SCHEMBL13585731 0.86 CA12 (0.53) CA12CA7CA9CA14SLC7A5
SCHEMBL13585726 0.86 CA12 (0.53) CA12CA7CA9CA14SLC7A5
SCHEMBL13584871 0.83 SLC7A5 (0.41) CA12CA7CA9CA14SLC7A5
SCHEMBL13584873 0.83 SLC7A5 (0.41) CA12CA7CA9CA14SLC7A5
SCHEMBL13585304 0.82 PMP22 (0.41) SLC7A5SLC1A3SLC1A2SLC1A1PMP22
SCHEMBL13585307 0.82 PMP22 (0.41) SLC7A5SLC1A3SLC1A2SLC1A1PMP22
SCHEMBL13584862 0.79 SLC7A5 (0.45) CA12CA7CA9CA14SLC7A5
SCHEMBL1769680 0.79 PTGS1 (0.39) CA12CA7CA9CA14PMP22
SCHEMBL13584861 0.79 SLC7A5 (0.45) CA12CA7CA9CA14SLC7A5

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
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
CN-102712676-A Template-fixed peptidomimetics with CCR10 antagonistic activty POLYPHOR AG 2012-10-03 CN 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 CA12 1013/4885CA7 883/4885CA9 574/4885

“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.