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SCHEMBL1725903

SCHEMBL1725903

Cc1cc(C#N)cnc1NCCC(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SSTR4 P31391 1/20 0.39
▸ TNF P01375 2/20 0.39
▸ IRAK4 Q9NWZ3 5/20 0.38
▸ TLR8 Q9NR97 1/20 0.36
▸ GLA P06280 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ EGLN1 Q9GZT9 1/20 0.35
▸ STK17B O94768 1/20 0.34
▸ STK17A Q9UEE5 1/20 0.34
▸ HDAC8 Q9BY41 1/20 0.34
▸ EGLN2 Q96KS0 1/20 0.34
▸ ABCB1 P08183 1/20 0.34
▸ LRRK2 Q5S007 1/20 0.33

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
SCHEMBL1725455 0.93 SSTR4 (0.38) SSTR4TNFIRAK4TLR8GLA
SCHEMBL1725102 0.87 IRAK4 (0.42) IRAK4ALDH1A1STK17BSTK17A
SCHEMBL1727254 0.81 KDM4E (0.44) IRAK4ALDH1A1STK17BSTK17A
SCHEMBL1724772 0.78 DPP4 (0.46) IRAK4ABCB1
SCHEMBL1726699 0.76 TLR8 (0.35) TLR8ALDH1A1STK17BSTK17AHDAC8
SCHEMBL1726700 0.76 TLR8 (0.35) TLR8ALDH1A1STK17BSTK17AHDAC8
SCHEMBL13187583 0.76 TLR8 (0.35) TLR8ALDH1A1STK17BSTK17AHDAC8
SCHEMBL1727212 0.76 TLR8 (0.39) TNFTLR8EGLN1HDAC8EGLN2
SCHEMBL3797045 0.75 L3MBTL1 (0.47) TNFIRAK4GLA
SCHEMBL25249912 0.74 CDK8 (0.42) TNFIRAK4ABCB1

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 9 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
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
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
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 SSTR4 242/4885TNF 2904/4885IRAK4 289/4885

“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.