SCHEMBL4387425

SCHEMBL4387425

COC(=O)c1ccc(C)c(-n2c(COC(C)=O)cc(O)c(Br)c2=O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
MAPK14 Q16539 5/20 0.42
LMNA P02545 2/20 0.40
OPRK1 P41145 1/20 0.39
HSD17B10 Q99714 2/20 0.39
TP53 P04637 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
ALOX12 P18054 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
ROCK2 O75116 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
SCHEMBL4387249 0.86 ALDH1A1 (0.47) ALDH1A1MAPK14LMNAOPRK1HSD17B10
SCHEMBL2707694 0.82 ALDH1A1 (0.56) ALDH1A1MAPK14LMNAOPRK1HSD17B10
SCHEMBL6499889 0.82 TP53 (0.42) ALDH1A1MAPK14TP53KDM4EMEN1
SCHEMBL4380159 0.80 MAPK14 (0.69) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL4382362 0.73 MAPK14 (0.46) ALDH1A1MAPK14LMNAHSD17B10TP53
SCHEMBL12798301 0.71 MAPK14 (0.44) ALDH1A1MAPK14TP53SMN1; SMN2ROCK2
SCHEMBL2706645 0.71 ALDH1A1 (0.60) ALDH1A1LMNAOPRK1HSD17B10TP53
SCHEMBL3522267 0.71 MAPK14 (0.60) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL4509497 0.69 ALDH1A1 (0.57) ALDH1A1LMNAOPRK1HSD17B10TP53
SCHEMBL14901975 0.69 ALDH1A1 (0.48) ALDH1A1LMNAHSD17B10TP53SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7629363-B2 antiinflammatory agent for treating asthma and chronic pulmonary inflammatory disease PFIZER INC (US) 2009-12-08 US disclosed
US-7629363-B2 antiinflammatory agent for treating asthma and chronic pulmonary inflammatory disease PFIZER INC (US) 2009-12-08 US disclosed
US-7629363-B2 antiinflammatory agent for treating asthma and chronic pulmonary inflammatory disease PFIZER INC (US) 2009-12-08 US disclosed
EP-1490064-B1 SUBSTITUTED PYRIDINONES AS MODULATORS OF P38 MAP KINASE PHARMACIA CORP (US) 2009-11-18 EP disclosed
EP-1490064-B1 SUBSTITUTED PYRIDINONES AS MODULATORS OF P38 MAP KINASE PHARMACIA CORP (US) 2009-11-18 EP disclosed
US-7067540-B2 Substituted pyridinones PHARMACIA CORPORATION (US) 2006-06-27 US disclosed
US-20050176775-A1 Substituted pyridinones PHARMACIA CORPORATION 2005-08-11 US disclosed
US-20040058964-A1 Substituted pyridinones PHARMACIA LLC 2004-03-25 US 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 (2 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-20040058964-A1 Substituted pyridinones MAPK1, MAPK6, MAPK7 ALDH1A1 787/4885MAPK14 41/4885LMNA 1815/4885
US-20050176775-A1 Substituted pyridinones MAPK1, MAPK6, MAP3K6 ALDH1A1 741/4885MAPK14 53/4885LMNA 1884/4885

“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.