SCHEMBL1769336

SCHEMBL1769336

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

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.37
CA9 Q16790 2/20 0.37
CA2 P00918 2/20 0.37
ALOX15 P16050 1/20 0.36
CA14 Q9ULX7 3/20 0.36
CA7 P43166 2/20 0.36
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
CA1 P00915 1/20 0.35
PAOX Q6QHF9 1/20 0.34
ALDH1A1 P00352 2/20 0.34
KMT2A Q03164 1/20 0.34
ANPEP P15144 1/20 0.33
PMP22 Q01453 1/20 0.33
GAA P10253 1/20 0.33
DNM1 Q05193 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HPGD P15428 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
SCHEMBL13585152 1.00 CA12 (0.37) CA12CA9CA2ALOX15CA14
SCHEMBL1769542 0.91 ALDH1A1 (0.42) CA12CA9CA14CA7NOS3
SCHEMBL13585191 0.91 ALDH1A1 (0.42) CA12CA9CA14CA7NOS3
SCHEMBL13585209 0.88 NOS2 (0.42) CA12CA9CA2ALOX15CA14
SCHEMBL13585212 0.88 NOS2 (0.42) CA12CA9CA2ALOX15CA14
SCHEMBL1769560 0.81 GSR (0.44) CA12CA9CA2CA14CA7
SCHEMBL13584711 0.81 GSR (0.44) CA12CA9CA2CA14CA7
SCHEMBL1769605 0.80 CA12 (0.38) CA12CA9ALOX15CA14CA7
SCHEMBL1769608 0.80 CA12 (0.38) CA12CA9ALOX15CA14CA7
SCHEMBL13585416 0.80 CA12 (0.38) CA12CA9CA2ALOX15NOS3

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 CA12 1013/4885CA9 574/4885CA2 808/4885

“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.