SCHEMBL1724976

SCHEMBL1724976

Cc1cc(C=NON)cnc1NCCCC(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
STK17B O94768 1/20 0.35
STK17A Q9UEE5 1/20 0.35
BRD4 O60885 9/20 0.34
HDAC8 Q9BY41 1/20 0.33
SYK P43405 1/20 0.32
TLR8 Q9NR97 1/20 0.32
KDM4E B2RXH2 2/20 0.32
POLB P06746 1/20 0.32
PDE5A O76074 1/20 0.31
LMNA P02545 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TOP2A P11388 1/20 0.30

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
SCHEMBL13187581 0.78 STK17B (0.35) STK17BSTK17ABRD4HDAC8SYK
SCHEMBL1724977 0.78 STK17B (0.35) STK17BSTK17ABRD4HDAC8SYK
SCHEMBL15891175 0.78 STK17B (0.35) STK17BSTK17ABRD4HDAC8SYK
SCHEMBL1725455 0.76 SSTR4 (0.38) STK17BSTK17ABRD4HDAC8TLR8
SCHEMBL1093272 0.73 STK17B (0.40) STK17BSTK17ABRD4HDAC8SYK
SCHEMBL1726699 0.71 TLR8 (0.35) STK17BSTK17ABRD4HDAC8SYK
SCHEMBL1726700 0.71 TLR8 (0.35) STK17BSTK17ABRD4HDAC8SYK
SCHEMBL13187583 0.71 TLR8 (0.35) STK17BSTK17ABRD4HDAC8SYK
SCHEMBL1725903 0.69 SSTR4 (0.39) STK17BSTK17AHDAC8TLR8ALDH1A1
SCHEMBL13187325 0.69 ALDH1A1 (0.42) STK17BSTK17ABRD4HDAC8SYK

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 STK17B 725/4885STK17A 638/4885BRD4 757/4885

“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.