SCHEMBL1769659

SCHEMBL1769659

CC(=O)N1CCN(S(=O)(=O)C[C@H](N)C(=O)O)CC1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NOS2 P35228 1/20 0.39
PIK3CD O00329 1/20 0.39
CYP1A2 P05177 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
GRIK1 P39086 1/20 0.36
TSHR P16473 2/20 0.35
LMNA P02545 1/20 0.35
PMP22 Q01453 1/20 0.35
KMT2A Q03164 3/20 0.34
GCLC P48506 1/20 0.34
MEN1 O00255 2/20 0.34
GAA P10253 1/20 0.34
CYP2C19 P33261 1/20 0.34
DPP7 Q9UHL4 1/20 0.33
RORC P51449 1/20 0.33
ALDH1A1 P00352 1/20 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
SCHEMBL13585612 1.00 POLB (0.41) POLBNPSR1L3MBTL1NOS2PIK3CD
SCHEMBL1768538 0.86 PMP22 (0.45) POLBNPSR1L3MBTL1NOS2PIK3CD
SCHEMBL13585058 0.86 PMP22 (0.45) POLBNPSR1L3MBTL1NOS2PIK3CD
SCHEMBL13585342 0.83 L3MBTL1 (0.37) POLBNPSR1L3MBTL1NOS2GRIK1
SCHEMBL13585344 0.83 L3MBTL1 (0.37) POLBNPSR1L3MBTL1NOS2GRIK1
SCHEMBL13585382 0.81 DPP7 (0.42) NOS2CYP1A2GRIK1TSHRPMP22
SCHEMBL13585214 0.81 DPP7 (0.46) NOS2GRIK1TSHRPMP22GCLC
SCHEMBL13585384 0.81 DPP7 (0.42) NOS2CYP1A2GRIK1TSHRPMP22
SCHEMBL13585217 0.81 DPP7 (0.46) NOS2GRIK1TSHRPMP22GCLC
SCHEMBL13585764 0.80 DPP7 (0.49) POLBNOS2GRIK1TSHRPMP22

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 POLB 782/4885NPSR1 813/4885L3MBTL1 609/4885

“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.