SCHEMBL1726700

SCHEMBL1726700

Cc1cc(C(N)=NO)cnc1NCCC(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.35
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
STK17B O94768 1/20 0.32
STK17A Q9UEE5 1/20 0.32
SYK P43405 1/20 0.32
BRD4 O60885 2/20 0.32
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
PLAU P00749 2/20 0.30
HDAC8 Q9BY41 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 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
SCHEMBL1726699 1.00 TLR8 (0.35) TLR8GAAMAPTSTK17BSTK17A
SCHEMBL13187583 1.00 TLR8 (0.35) TLR8GAAMAPTSTK17BSTK17A
SCHEMBL1724977 0.94 STK17B (0.35) TLR8GAAMAPTSTK17BSTK17A
SCHEMBL15891175 0.94 STK17B (0.35) TLR8GAAMAPTSTK17BSTK17A
SCHEMBL13187581 0.94 STK17B (0.35) TLR8GAAMAPTSTK17BSTK17A
SCHEMBL1727214 0.88 STK17B (0.38) TLR8GAAMAPTSTK17BSTK17A
SCHEMBL1727216 0.88 STK17B (0.38) TLR8GAAMAPTSTK17BSTK17A
SCHEMBL13187666 0.88 STK17B (0.38) TLR8GAAMAPTSTK17BSTK17A
SCHEMBL13187325 0.82 ALDH1A1 (0.42) GAAMAPTSTK17BSTK17ASYK
SCHEMBL1726823 0.82 ALDH1A1 (0.42) GAAMAPTSTK17BSTK17ASYK

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 TLR8 967/4885GAA 4674/4885MAPT 3229/4885

“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.