SCHEMBL1725850

SCHEMBL1725850

CC(C)(C)OC(=O)CCNc1ccc(C(N)=NO)cn1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 6/20 0.43
AAK1 Q2M2I8 1/20 0.38
NNMT P40261 1/20 0.38
HCAR2 Q8TDS4 1/20 0.37
TLR8 Q9NR97 1/20 0.36
EPHX2 P34913 1/20 0.36
F10 P00742 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
SCHEMBL1725848 1.00 HCAR3 (0.43) HCAR3AAK1NNMTHCAR2TLR8
SCHEMBL15905736 1.00 HCAR3 (0.43) HCAR3AAK1NNMTHCAR2TLR8
SCHEMBL1725107 0.93 HCAR3 (0.45) HCAR3AAK1NNMTHCAR2EPHX2
SCHEMBL15905738 0.93 HCAR3 (0.45) HCAR3AAK1NNMTHCAR2EPHX2
SCHEMBL1725108 0.93 HCAR3 (0.45) HCAR3AAK1NNMTHCAR2EPHX2
SCHEMBL1725419 0.88 HCAR3 (0.41) HCAR3NNMTHCAR2F10
SCHEMBL1725418 0.88 HCAR3 (0.41) HCAR3NNMTHCAR2F10
SCHEMBL15905735 0.88 HCAR3 (0.41) HCAR3NNMTHCAR2F10
SCHEMBL691346 0.84 HCAR3 (0.62) HCAR3HCAR2
SCHEMBL693630 0.83 HCAR3 (0.50) HCAR3HCAR2TLR8

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 4 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
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
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 HCAR3 173/4885AAK1 1061/4885NNMT 3153/4885

“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.