SCHEMBL1726534

SCHEMBL1726534

CC(C)(C)OC(=O)CNc1cc(C#N)ccn1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.45
CCNT1 O60563 1/20 0.40
TNF P01375 2/20 0.39
RORC P51449 2/20 0.38
IDH1 O75874 1/20 0.38
PTPRC P08575 2/20 0.38
EGLN1 Q9GZT9 2/20 0.37
EGLN2 Q96KS0 2/20 0.37
CNR2 P34972 1/20 0.37
CCNC P24863 1/20 0.36
CDK8 P49336 1/20 0.36
ANO1 Q5XXA6 1/20 0.35
AAK1 Q2M2I8 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GLA P06280 1/20 0.35
DYRK1A Q13627 1/20 0.35
CLK4 Q9HAZ1 1/20 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
SCHEMBL1727212 0.87 TLR8 (0.39) ABCB1TNFRORCIDH1EGLN1
SCHEMBL1724626 0.82 DPP4 (0.47) ABCB1CCNT1IDH1EGLN1
SCHEMBL28485639 0.80 KDM4D (0.53) CCNT1PTPRCEGLN1EGLN2ALDH1A1
SCHEMBL3456534 0.80 EGLN2 (0.47) RORCEGLN2AAK1DYRK1ACLK4
SCHEMBL14632483 0.77 ALDH1A1 (0.51) ABCB1ALDH1A1
SCHEMBL27847582 0.77 GAA (0.44) RORCEGLN2CNR2CCNCCDK8
SCHEMBL1433357 0.76 ABCB1 (0.46) ABCB1EGLN2ALDH1A1
SCHEMBL13216853 0.75 CTSK (0.39) ABCB1AAK1ALDH1A1GLA
SCHEMBL1649137 0.75 ABCB1 (0.47) ABCB1TNFPTPRCEGLN1AAK1
SCHEMBL29820400 0.75 SORT1 (0.40) CCNT1AAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8791142-B2 Oxazole pyridine derivatives useful as S1P1 receptor agonists MERCK SERONO S.A. (CH) 2014-07-29 US disclosed
US-8791142-B2 Oxazole pyridine derivatives useful as S1P1 receptor agonists MERCK SERONO S.A. (CH) 2014-07-29 US disclosed
EP-2403849-A1 OXAZOLE PYRIDINE DERIVATIVES USEFUL AS S1P1 RECEPTOR AGONISTS Merck Serono S.A. (CH) 2012-01-11 EP disclosed
US-20110306636-A1 OXAZOLE PYRIDINE DERIVATIVES USEFUL AS S1P1 RECEPTOR AGONISTS MERCK SERONO SA (CH) 2011-12-15 US disclosed
US-20110306636-A1 OXAZOLE PYRIDINE DERIVATIVES USEFUL AS S1P1 RECEPTOR AGONISTS MERCK SERONO SA (CH) 2011-12-15 US disclosed
WO-2010100142-A1 OXAZOLE PYRIDINE DERIVATIVES USEFUL AS S1P1 RECEPTOR AGONISTS MERCK SERONO S.A. (CH) 2010-09-10 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-20110306636-A1 OXAZOLE PYRIDINE DERIVATIVES USEFUL AS S1P1 RECEPTOR AGONISTS S1PR1, S1PR3, S1PR5 ABCB1 1225/4885CCNT1 3828/4885TNF 2904/4885

“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.