SCHEMBL1727151

SCHEMBL1727151

COCc1cc(-c2nc(-c3ccc(CN(C)CC(=O)OC(C)(C)C)nc3)no2)ccc1-c1ccccc1C

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 17/20 0.56
S1PR3 Q99500 2/20 0.56
HDAC6 Q9UBN7 3/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC8 Q9BY41 2/20 0.42

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
SCHEMBL1725464 0.90 S1PR1 (0.63) S1PR1S1PR3HDAC6
SCHEMBL2774885 0.89 S1PR1 (0.61) S1PR1S1PR3
SCHEMBL408346 0.89 S1PR1 (0.61) S1PR1S1PR3
SCHEMBL409713 0.89 S1PR1 (0.56) S1PR1S1PR3
SCHEMBL410684 0.88 S1PR1 (0.62) S1PR1S1PR3
SCHEMBL2772903 0.87 S1PR1 (0.60) S1PR1S1PR3
SCHEMBL408444 0.87 S1PR1 (0.58) S1PR1S1PR3
SCHEMBL409722 0.87 S1PR1 (0.56) S1PR1S1PR3
SCHEMBL405204 0.87 S1PR1 (0.55) S1PR1S1PR3
SCHEMBL409192 0.87 S1PR1 (0.55) S1PR1S1PR3

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 S1PR1 1/4885S1PR3 2/4885HDAC6 3108/4885

“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.