SCHEMBL1769680

SCHEMBL1769680

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

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.39
SLC7A11 Q9UPY5 1/20 0.39
GSR P00390 1/20 0.38
CA12 O43570 2/20 0.38
CA14 Q9ULX7 2/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
GABRR1 P24046 2/20 0.36
PMP22 Q01453 1/20 0.35
CASR P41180 1/20 0.34
ALDH1A1 P00352 1/20 0.33
GFPT1 Q06210 1/20 0.33
KYNU Q16719 2/20 0.33

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
SCHEMBL1769684 1.00 PTGS1 (0.39) PTGS1SLC7A11GSRCA12CA14
SCHEMBL13584711 0.89 GSR (0.44) PTGS1SLC7A11GSRCA12CA14
SCHEMBL1769560 0.89 GSR (0.44) PTGS1SLC7A11GSRCA12CA14
SCHEMBL1769608 0.85 CA12 (0.38) PTGS1SLC7A11GSRCA12CA14
SCHEMBL1769605 0.85 CA12 (0.38) PTGS1SLC7A11GSRCA12CA14
SCHEMBL1769565 0.85 GSR (0.47) PTGS1SLC7A11GSRGABRR1PMP22
SCHEMBL1769561 0.85 GSR (0.47) PTGS1SLC7A11GSRGABRR1PMP22
SCHEMBL1769392 0.80 CASR (0.39) CA12CA14CA7CA9PMP22
SCHEMBL1769599 0.80 CA12 (0.44) CA12CA14CA7CA9PMP22
SCHEMBL13585191 0.80 ALDH1A1 (0.42) CA12CA14CA7CA9PMP22

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 PTGS1 1952/4885SLC7A11 424/4885GSR 4018/4885

“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.