SCHEMBL1768538

SCHEMBL1768538

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PMP22 Q01453 1/20 0.45
PIK3CD O00329 1/20 0.41
POLB P06746 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GCLC P48506 1/20 0.40
LMNA P02545 2/20 0.37
TSHR P16473 2/20 0.37
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP1A2 P05177 3/20 0.36
TDP1 Q9NUW8 1/20 0.36
CYP2C19 P33261 2/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP2D6 P10635 1/20 0.35
GRIK1 P39086 2/20 0.35
GRM8 O00222 1/20 0.35
GRM6 O15303 1/20 0.35
GRIN2D O15399 1/20 0.35
GRIN3B O60391 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
SCHEMBL13585058 1.00 PMP22 (0.45) PMP22PIK3CDPOLBNPSR1L3MBTL1
SCHEMBL13585612 0.86 POLB (0.41) PMP22PIK3CDPOLBNPSR1L3MBTL1
SCHEMBL1769659 0.86 POLB (0.41) PMP22PIK3CDPOLBNPSR1L3MBTL1
SCHEMBL13585443 0.84 PMP22 (0.47) PMP22POLBNPSR1L3MBTL1GCLC
SCHEMBL1768702 0.84 PMP22 (0.47) PMP22POLBNPSR1L3MBTL1GCLC
SCHEMBL1768504 0.82 PMP22 (0.47) PMP22GCLCALDH1A1CYP1A2GRIK1
SCHEMBL13585377 0.82 PMP22 (0.47) PMP22GCLCTSHRALDH1A1CYP1A2
SCHEMBL1768638 0.82 PMP22 (0.47) PMP22GCLCTSHRALDH1A1CYP1A2
SCHEMBL13585245 0.82 PMP22 (0.47) PMP22GCLCALDH1A1CYP1A2GRIK1
SCHEMBL13584948 0.80 DPP7 (0.47) PMP22GCLCTSHRALDH1A1CYP1A2

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
EP-2501715-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CCR10 ANTAGONISTIC ACTIVTY Polyphor Ag (CH) 2012-09-26 EP disclosed
WO-2011060937-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CCR10 ANTAGONISTIC ACTIVTY 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 PMP22 1622/4885PIK3CD 4336/4885POLB 782/4885

“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.