SCHEMBL320671

SCHEMBL320671

CC(NCC(=O)OC(C)(C)C)c1ccc(C(N)=NO)cc1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
HDAC1 Q13547 4/20 0.37
HDAC2 Q92769 4/20 0.37
GAA P10253 2/20 0.36
RAB9A P51151 1/20 0.36
F10 P00742 2/20 0.36
ITGB3 P05106 3/20 0.35
ITGA2B P08514 3/20 0.35
MAPT P10636 1/20 0.34

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
SCHEMBL10207805 1.00 PTPRC (0.39) PTPRCL3MBTL1HDAC1HDAC2GAA
SCHEMBL10208030 1.00 PTPRC (0.39) PTPRCL3MBTL1HDAC1HDAC2GAA
SCHEMBL10207606 1.00 PTPRC (0.39) PTPRCL3MBTL1HDAC1HDAC2GAA
SCHEMBL320670 1.00 PTPRC (0.39) PTPRCL3MBTL1HDAC1HDAC2GAA
SCHEMBL320216 0.86 PTPRC (0.38) PTPRCL3MBTL1F10
SCHEMBL14916630 0.86 PTPRC (0.38) PTPRCL3MBTL1F10
SCHEMBL10207799 0.86 PTPRC (0.38) PTPRCL3MBTL1F10
SCHEMBL10207810 0.81 CTSK (0.42) ITGB3ITGA2BMAPT
SCHEMBL10206922 0.81 CTSK (0.42) ITGB3ITGA2BMAPT
SCHEMBL10086319 0.81 CTSK (0.42) ITGB3ITGA2BMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2590956-B1 5-(biphenyl-4-yl)-3-phenyl-1,2,4-oxadiazolyl derivatives as ligands on the sphingosine 1-phosphate (S1P) receptors MERCK SERONO SA (CH) 2016-05-04 EP disclosed
US-9029405-B2 5-(biphenyl-4-yl)-3-phenyl-1,2,4-oxadiazolyl derivatives as ligands on the sphingosine 1-phosphate(SIP)receptors MERCK SERONO S.A. (CH) 2015-05-12 US disclosed
EP-2590956-A1 5-(BIPHENYL-4-YL)-3-PHENYL-1,2,4-OXADIAZOLYL DERIVATIVES AS LIGANDS ON THE SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTORS Merck Serono S.A. (CH) 2013-05-15 EP disclosed
US-20130116289-A1 5-(BIPHENYL-4-YL)-3-PHENYL-1,2,4-OXADIAZOLYL DERIVATIVES AS LIGANDS ON THE SPHINGOSINE 1-PHOSPHATE(SIP)RECEPTORS MERCK SERONO S.A. (CH) 2013-05-09 US disclosed
WO-2012004287-A1 5-(BIPHENYL-4-YL)-3-PHENYL-1,2,4-OXADIAZOLYL DERIVATIVES AS LIGANDS ON THE SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTORS MERCK SERONO S.A. (CH) 2012-01-12 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-20130116289-A1 5-(BIPHENYL-4-YL)-3-PHENYL-1,2,4-OXADIAZOLYL DERIVATIVES AS LIGANDS ON THE SPHINGOSINE 1-PHOSPHATE(SIP)RECEPTORS S1PR1, S1PR5, S1PR2 PTPRC 1120/4885L3MBTL1 4199/4885HDAC1 1352/4885

“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.