SCHEMBL1504597

SCHEMBL1504597

CC(C)(C)NC=C(/C=C/C(=O)O)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.38
TP53 P04637 1/20 0.38
EGLN1 Q9GZT9 1/20 0.38
EGLN3 Q9H6Z9 1/20 0.38
HCAR2 Q8TDS4 3/20 0.37
ALDH1A1 P00352 4/20 0.33
ALOX15 P16050 2/20 0.33
RECQL P46063 2/20 0.33
HSD17B10 Q99714 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
GAA P10253 1/20 0.33
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL1504595 1.00 TSHR (0.38) TSHRTP53EGLN1EGLN3HCAR2
SCHEMBL1504598 1.00 TSHR (0.38) TSHRTP53EGLN1EGLN3HCAR2
SCHEMBL20054044 0.77
SCHEMBL7053346 0.76 TSHR (0.43) TSHRTP53EGLN1EGLN3HCAR2
SCHEMBL7196153 0.70 TSHR (0.40) TSHRTP53EGLN1EGLN3HCAR2
SCHEMBL9311666 0.69 TSHR (0.53) TSHRTP53EGLN1EGLN3HCAR2
SCHEMBL268858 0.69 PTGS1 (0.37)
SCHEMBL268857 0.69 PTGS1 (0.37)
Maleic Acid SCHEMBL28072456 0.67 TSHR (0.50) TSHRTP53EGLN1EGLN3HCAR2
Maleic Acid SCHEMBL9805234 0.65 TSHR (0.75) TSHRTP53EGLN1EGLN3HCAR2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8173684-B2 Pyridone derivatives as p38α MAPK inhibitors ASTELLAS PHARMA INC. (JP) 2012-05-08 US disclosed
EP-2155683-B8 PYRIDONE DERIVATIVES AS P38A MAPK INHIBITORS ASTELLAS PHARMA INC (JP) 2011-09-21 EP disclosed
EP-2155683-B1 PYRIDONE DERIVATIVES AS P38A MAPK INHIBITORS ASTELLAS PHARMA INC (JP) 2011-03-16 EP disclosed
US-20100063098-A1 PYRIDONE DERIVATIVES AS P38A MAPK INHIBITORS ASTELLAS PHARMA INC. (JP) 2010-03-11 US disclosed
EP-2155683-A2 PYRIDONE DERIVATIVES AS P38A MAPK INHIBITORS Astellas Pharma Inc. (JP) 2010-02-24 EP disclosed
WO-2008140066-A2 PYRIDONE DERIVATIVES AS P38A MAPK INHIBITORS ASTELLAS PHARMA INC. (JP) 2008-11-20 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-20100063098-A1 PYRIDONE DERIVATIVES AS P38A MAPK INHIBITORS MAPK1, MAPK6, MAPK3 TSHR 959/4885TP53 1742/4885EGLN1 1876/4885

“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.