SCHEMBL1768945

SCHEMBL1768945

CC(C)CS(=O)(=O)NC[C@H](N)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.45
SLC1A3 P43003 4/20 0.40
SLC1A2 P43004 4/20 0.40
PMP22 Q01453 1/20 0.39
SLC1A1 P43005 3/20 0.38
GCLC P48506 1/20 0.38
GFPT1 Q06210 1/20 0.37
NOS2 P35228 1/20 0.36
GRIK1 P39086 3/20 0.35
PTGS1 P23219 1/20 0.34
SLC7A11 Q9UPY5 1/20 0.34
CASR P41180 1/20 0.34
GRIA2 P42262 2/20 0.33
GRIA4 P48058 2/20 0.33
GRIK3 Q13003 2/20 0.33
GRIK5 Q16478 2/20 0.33
GRIA1 P42261 1/20 0.33
GRIK2 Q13002 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 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
SCHEMBL27872394 1.00 SLC7A5 (0.45) SLC7A5SLC1A3SLC1A2PMP22SLC1A1
SCHEMBL13584861 0.85 SLC7A5 (0.45) SLC7A5SLC1A3SLC1A2PMP22SLC1A1
SCHEMBL13584862 0.85 SLC7A5 (0.45) SLC7A5SLC1A3SLC1A2PMP22SLC1A1
SCHEMBL27888955 0.85 SLC7A5 (0.43) SLC7A5SLC1A3SLC1A2PMP22SLC1A1
SCHEMBL13584710 0.85 SLC7A5 (0.43) SLC7A5SLC1A3SLC1A2PMP22SLC1A1
SCHEMBL1768513 0.82 PMP22 (0.42) SLC7A5SLC1A3SLC1A2PMP22SLC1A1
SCHEMBL28095430 0.82 PMP22 (0.42) SLC7A5SLC1A3SLC1A2PMP22SLC1A1
SCHEMBL1768804 0.82 PMP22 (0.44) SLC7A5SLC1A3SLC1A2PMP22SLC1A1
SCHEMBL2235421 0.82 PMP22 (0.44) SLC7A5SLC1A3SLC1A2PMP22SLC1A1
SCHEMBL5131406 0.81 APAF1 (0.37) GRIA4GRIA1CYP2D6CYP2C19

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-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
CN-102844327-B Template-fixed peptidomimetics with CXCR7 modulatory activity 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 1767/4885SLC1A3 2993/4885SLC1A2 2826/4885
US-20150307556-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY CXCR1, CXCL12, CXCR6 SLC7A5 760/4885SLC1A3 748/4885SLC1A2 842/4885
US-20130225506-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY CXCR1, CXCL12, CXCR6 SLC7A5 677/4885SLC1A3 634/4885SLC1A2 734/4885

“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.