SCHEMBL1768824

SCHEMBL1768824

N[C@@H](CNS(=O)(=O)CC(F)(F)F)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.35
PMP22 Q01453 2/20 0.34
CASR P41180 3/20 0.33
PTGS1 P23219 1/20 0.33
SLC7A11 Q9UPY5 1/20 0.33
GFPT1 Q06210 1/20 0.33
SLC1A3 P43003 3/20 0.32
SLC1A2 P43004 3/20 0.32
SLC1A1 P43005 2/20 0.32
NOS2 P35228 2/20 0.32
GRB2 P62993 1/20 0.32
DPP4 P27487 1/20 0.32
DPP8 Q6V1X1 1/20 0.32
DPP9 Q86TI2 1/20 0.32
DPP7 Q9UHL4 1/20 0.32
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

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
SCHEMBL27888832 1.00 SLC7A5 (0.35) SLC7A5PMP22CASRPTGS1SLC7A11
SCHEMBL2234922 0.83 PMP22 (0.40) PMP22SLC1A3SLC1A2SLC1A1NOS2
SCHEMBL13585035 0.83 PMP22 (0.40) PMP22SLC1A3SLC1A2SLC1A1NOS2
SCHEMBL8722447 0.78 CA2 (0.37) SLC7A5PMP22CASRPTGS1SLC7A11
SCHEMBL8442840 0.78 CA2 (0.37) SLC7A5PMP22CASRPTGS1SLC7A11
SCHEMBL1769809 0.77 PMP22 (0.33) SLC7A5PMP22CASRPTGS1SLC7A11
SCHEMBL1769806 0.77 PMP22 (0.33) SLC7A5PMP22CASRPTGS1SLC7A11
SCHEMBL28095430 0.77 PMP22 (0.42) SLC7A5PMP22CASRPTGS1SLC7A11
SCHEMBL1768513 0.77 PMP22 (0.42) SLC7A5PMP22CASRPTGS1SLC7A11
SCHEMBL1768945 0.76 SLC7A5 (0.45) SLC7A5PMP22CASRPTGS1SLC7A11

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9637520-B2 Template-fixed peptidomimetics with CXCR7 modulating activity POLYPHOR AG (CH) 2017-05-02 US disclosed
CN-102844327-B Template-fixed peptidomimetics with CXCR7 modulatory activity 波利弗尔股份公司 2016-10-26 CN disclosed
CN-102712676-B There is the peptidomimetic that the template of CCR10 antagonistic activity is fixing 波利弗尔股份公司 2016-10-26 CN disclosed
EP-2531520-B1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY POLYPHOR AG (CH) 2016-05-11 EP disclosed
US-20150307556-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY POLYPHOR AG (CH) 2015-10-29 US disclosed
US-9109009-B2 Template-fixed peptidomimetics with CXCR7 modulating activity POLYPHOR AG (CH) 2015-08-18 US disclosed
US-8754038-B2 Template-fixed peptidomimetics with CCR10 antagonistic activity POLYPHOR AG (CH) 2014-06-17 US disclosed
US-20130225506-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY POLYPHOR AG (CH) 2013-08-29 US disclosed
CN-102844327-A Template-fixed peptidomimetics with CXCR7 modulatory activity POLYPHOR AG 2012-12-26 CN disclosed
US-20120283168-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CCR10 ANTAGONISTIC ACTIVITY POLYPHOR AG (CH) 2012-11-08 US disclosed
CN-102712676-A Template-fixed peptidomimetics with CCR10 antagonistic activty POLYPHOR AG 2012-10-03 CN 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 (3 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 SLC7A5 1767/4885PMP22 1622/4885CASR 469/4885
US-20150307556-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY CXCR1, CXCL12, CXCR6 SLC7A5 760/4885PMP22 671/4885CASR 913/4885
US-20130225506-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY CXCR1, CXCL12, CXCR6 SLC7A5 677/4885PMP22 655/4885CASR 935/4885

“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.