SCHEMBL1769405

SCHEMBL1769405

CN(CC1CCOCC1)S(=O)(=O)CC[C@H](N)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PMP22 Q01453 2/20 0.40
PSEN1 P49768 3/20 0.36
PSEN2 P49810 3/20 0.36
APH1B Q8WW43 3/20 0.36
NCSTN Q92542 3/20 0.36
APH1A Q96BI3 3/20 0.36
PSENEN Q9NZ42 3/20 0.36
GCLC P48506 1/20 0.35
NOS2 P35228 2/20 0.33
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
ALDH1A1 P00352 1/20 0.31
KDM4E B2RXH2 1/20 0.31
GRM8 O00222 1/20 0.31
GRM6 O15303 1/20 0.31
GRIN2D O15399 1/20 0.31
GRIN3B O60391 1/20 0.31
GSR P00390 1/20 0.31
CYP1A2 P05177 1/20 0.31

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
SCHEMBL13585835 1.00 PMP22 (0.40) PMP22PSEN1PSEN2APH1BNCSTN
SCHEMBL13584956 0.88 PSEN1 (0.34) PMP22PSEN1PSEN2APH1BNCSTN
SCHEMBL13584959 0.88 PSEN1 (0.34) PMP22PSEN1PSEN2APH1BNCSTN
SCHEMBL13585360 0.82 PSEN1 (0.34) PMP22PSEN1PSEN2APH1BNCSTN
SCHEMBL1769647 0.79 PSEN1 (0.33) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1768572 0.77 KDM4E (0.41) PMP22NOS2NOS3NOS1KDM4E
SCHEMBL1768574 0.77 KDM4E (0.41) PMP22NOS2NOS3NOS1KDM4E
SCHEMBL13585359 0.74 CNR2 (0.33) PMP22PSEN1PSEN2APH1BNCSTN
SCHEMBL1768961 0.74 KDM4E (0.34) NOS2NOS3NOS1ALDH1A1KDM4E
SCHEMBL1768963 0.74 KDM4E (0.34) NOS2NOS3NOS1ALDH1A1KDM4E

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 PMP22 1622/4885PSEN1 2402/4885PSEN2 3156/4885

“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.