SCHEMBL1724786

SCHEMBL1724786

N#Cc1ccc(NCC(O)CO)nc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EGLN2 Q96KS0 1/20 0.44
DPP7 Q9UHL4 2/20 0.44
GLA P06280 1/20 0.42
FAAH O00519 1/20 0.41
DPP4 P27487 7/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
EGFR P00533 2/20 0.39
DPP8 Q6V1X1 1/20 0.39
IDH1 O75874 2/20 0.39
IRAK4 Q9NWZ3 1/20 0.39
TMPRSS4 Q9NRS4 1/20 0.38

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
SCHEMBL1727148 0.83 KDM4E (0.47) DPP7FAAHDPP4MEN1KMT2A
SCHEMBL16709541 0.81 MAPT (0.52) DPP7FAAHMEN1KMT2A
SCHEMBL21167755 0.80 HCAR3 (0.53) DPP7DPP4MEN1KMT2ADPP8
SCHEMBL1726095 0.78 DPP7 (0.50) DPP7DPP4MEN1KMT2ADPP8
SCHEMBL15652190 0.77 DPP7 (0.47) DPP7DPP4MEN1KMT2ADPP8
SCHEMBL6638863 0.77 DPP4 (0.53) DPP7DPP4MEN1KMT2ADPP8
SCHEMBL7897990 0.76 EGFR (0.41) GLAEGFR
SCHEMBL7900361 0.76 EGFR (0.49) MEN1KMT2AEGFR
SCHEMBL16627292 0.76 MEN1 (0.43) DPP7DPP4MEN1KMT2ADPP8
SCHEMBL30716707 0.76 EGFR (0.41) GLAEGFR

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 EGLN2 2132/4885DPP7 1633/4885GLA 4336/4885

“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.