SCHEMBL1724626

SCHEMBL1724626

CC(C)(C)OC(=O)CNc1ccc(C#N)cn1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 9/20 0.47
ABCB1 P08183 1/20 0.45
DPP7 Q9UHL4 2/20 0.43
DPP8 Q6V1X1 1/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
IRAK4 Q9NWZ3 1/20 0.40
IDH1 O75874 2/20 0.40
CCNT1 O60563 1/20 0.40
EGLN1 Q9GZT9 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
SCHEMBL1724772 0.87 DPP4 (0.46) DPP4ABCB1DPP7DPP8MEN1
SCHEMBL1727202 0.85 DPP4 (0.45) DPP4ABCB1DPP7DPP8MEN1
SCHEMBL1726534 0.82 ABCB1 (0.45) ABCB1IDH1CCNT1EGLN1
SCHEMBL8003211 0.81 DPP4 (0.47) DPP4DPP7DPP8IRAK4
SCHEMBL12295518 0.80 RAB9A (0.45) MEN1KMT2ACCNT1
SCHEMBL31407474 0.80 RAB9A (0.45) MEN1KMT2ACCNT1
SCHEMBL6434747 0.80 CCNT1 (0.41) CCNT1
SCHEMBL15057350 0.80 EGLN2 (0.50) MEN1KMT2A
SCHEMBL18286138 0.80 PTK2 (0.49) CCNT1
SCHEMBL1937712 0.79 STK17B (0.47) DPP4DPP7DPP8

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 DPP4 1802/4885ABCB1 1225/4885DPP7 1633/4885

“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.