SCHEMBL14916630

SCHEMBL14916630

CC(NCC(=O)OC(C)(C)C)c1cccc(/C(N)=N\O)c1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
CASR P41180 1/20 0.35
SLC7A5 Q01650 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
TP53BP1 Q12888 1/20 0.34
F10 P00742 4/20 0.34
F2 P00734 3/20 0.34
KDM1A O60341 1/20 0.34
ACACB O00763 1/20 0.34
PRSS1 P07477 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
PLAU P00749 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
SCHEMBL10207799 1.00 PTPRC (0.38) PTPRCL3MBTL1CASRSLC7A5TDP1
SCHEMBL320216 1.00 PTPRC (0.38) PTPRCL3MBTL1CASRSLC7A5TDP1
SCHEMBL10207606 0.86 PTPRC (0.39) PTPRCL3MBTL1F10
SCHEMBL320671 0.86 PTPRC (0.39) PTPRCL3MBTL1F10
SCHEMBL10207805 0.86 PTPRC (0.39) PTPRCL3MBTL1F10
SCHEMBL320670 0.86 PTPRC (0.39) PTPRCL3MBTL1F10
SCHEMBL10208030 0.86 PTPRC (0.39) PTPRCL3MBTL1F10
SCHEMBL2379530 0.84 L3MBTL1 (0.43) PTPRCL3MBTL1CASRSLC7A5PTGS1
SCHEMBL10207170 0.80 CASR (0.39) L3MBTL1CASRSLC7A5TDP1F10
SCHEMBL27551142 0.77 L3MBTL1 (0.54) PTPRCL3MBTL1CASR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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

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 4199/4885CASR 532/4885

“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.