SCHEMBL3709816

SCHEMBL3709816

N#Cc1cnc(NCC(=O)O)c(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 4/20 0.42
S100A9 P06702 1/20 0.42
IRAK4 Q9NWZ3 12/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
FLT1 P17948 1/20 0.40
EGLN3 Q9H6Z9 1/20 0.40
MAP3K8 P41279 1/20 0.39
VNN1 O95497 1/20 0.39

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
SCHEMBL3797045 0.80 L3MBTL1 (0.47) IRAK4L3MBTL1
SCHEMBL1726018 0.79 CCNA2 (0.42) S100A9IRAK4L3MBTL1
SCHEMBL16209890 0.75 CYP1A2 (0.54) L3MBTL1VNN1
SCHEMBL8989530 0.74 KDM4E (0.40) S100A9IRAK4L3MBTL1
SCHEMBL1725102 0.73 IRAK4 (0.42) IRAK4L3MBTL1
SCHEMBL1725287 0.72 IRAK4 (0.48) IRAK4
SCHEMBL1727254 0.72 KDM4E (0.44) IRAK4
SCHEMBL1726524 0.71 IRAK4 (0.44) IRAK4
SCHEMBL1173688 0.71 TRPM8 (0.42) EGLN1S100A9FLT1EGLN3
SCHEMBL14765568 0.71 DPP4 (0.50) EGLN1FLT1EGLN3

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 3 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-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 EGLN1 1628/4885S100A9 4028/4885IRAK4 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.