SCHEMBL1768680

SCHEMBL1768680

NC(CNC(=O)CC(F)(F)F)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GFPT1 Q06210 1/20 0.41
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37
GRIN3B O60391 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2C Q14957 1/20 0.36
PTGS1 P23219 1/20 0.35
SLC7A11 Q9UPY5 1/20 0.35
GGT1 P19440 4/20 0.35
CASR P41180 2/20 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
SCHEMBL1768678 1.00 GFPT1 (0.41) GFPT1ITGB3ITGA2BGRIN3BGRIN1
SCHEMBL1768536 0.83 GFPT1 (0.40) GFPT1ITGB3ITGA2BGRIN3BGRIN1
SCHEMBL1768532 0.83 GFPT1 (0.40) GFPT1ITGB3ITGA2BGRIN3BGRIN1
SCHEMBL1769657 0.81 OTC (0.45) GRIN3BGRIN1GRIN2CGGT1
SCHEMBL1769653 0.81 OTC (0.45) GRIN3BGRIN1GRIN2CGGT1
SCHEMBL12600510 0.79 GFPT1 (0.46) GFPT1GRIN3BGRIN1GRIN2CPTGS1
SCHEMBL1769709 0.79 GFPT1 (0.44) GFPT1GRIN3BGRIN1GRIN2CCASR
SCHEMBL1769707 0.79 GFPT1 (0.44) GFPT1GRIN3BGRIN1GRIN2CCASR
SCHEMBL2240293 0.79 OTC (0.58) GRIN3BGRIN1GRIN2C
SCHEMBL2240289 0.79 OTC (0.58) GRIN3BGRIN1GRIN2C

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 10 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
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
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
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 (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 GFPT1 3069/4885ITGB3 3255/4885ITGA2B 2174/4885
US-20150307556-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY CXCR1, CXCL12, CXCR6 GFPT1 1208/4885ITGB3 2339/4885ITGA2B 1867/4885
US-20130225506-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY CXCR1, CXCL12, CXCR6 GFPT1 1167/4885ITGB3 2108/4885ITGA2B 1709/4885

“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.