SCHEMBL320060

SCHEMBL320060

CC(C)(C)OC(=O)C(C)(C)NCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA7 P43166 1/20 0.52
CA14 Q9ULX7 1/20 0.52
ATM Q13315 1/20 0.48
RIPK1 Q13546 1/20 0.45
IDO1 P14902 1/20 0.44
AKT1 P31749 2/20 0.43
LMNA P02545 2/20 0.43
RAB9A P51151 1/20 0.43
CTSK P43235 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ITGA4 P13612 1/20 0.41
ITGB7 P26010 1/20 0.41
PPID Q08752 1/20 0.41
MMP8 P22894 1/20 0.41
CTSS P25774 1/20 0.40

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
SCHEMBL21328307 0.86 RIPK1 (0.47) CA12CA1CA7CA14RIPK1
SCHEMBL1774203 0.85 CA12 (0.43) CA12CA1CA7CA14ATM
SCHEMBL17541033 0.82 MMP8 (0.56) RIPK1LMNASMN1; SMN2PPIDMMP8
SCHEMBL24965924 0.80 RIPK1 (0.51) CA12CA1CA7CA14RIPK1
SCHEMBL21605451 0.80 RIPK1 (0.51) CA12CA1CA7CA14RIPK1
Hydrochloric Acid SCHEMBL10481433 0.79 RIPK1 (0.50) CA12CA1CA7CA14ATM
SCHEMBL8710199 0.78 CA12 (0.45) CA12CA1CA7CA14ATM
SCHEMBL2850028 0.77 RIPK1 (0.49) CA12CA1CA7CA14RIPK1
SCHEMBL1192098 0.77 RIPK1 (0.49) RIPK1ITGA4ITGB7
SCHEMBL3838871 0.76 CA12 (0.63) CA12CA1CA7CA14ATM

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 7 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
CN-103097365-B 5- (biphenyl-4-yl) -3-phenyl-1, 2, 4-oxadiazolyl derivatives as ligands on sphingosine-1-phosphate (S1P) receptors MERCK SERONO S.A. (CH) 2016-02-24 CN 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
CN-103097365-A 5- (biphenyl-4-yl) -3-phenyl-1, 2, 4-oxadiazolyl derivatives as ligands on sphingosine-1-phosphate (S1P) receptors MERCK SERONO SA 2013-05-08 CN 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 CA12 4870/4885CA1 4648/4885CA7 4721/4885

“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.