SCHEMBL4376841

SCHEMBL4376841

COC(=O)c1cccc(-n2c(C)cc(O)cc2=O)c1C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.60
POLB P06746 2/20 0.60
RAB9A P51151 1/20 0.60
MYC P01106 2/20 0.50
TSHR P16473 2/20 0.43
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
LMNA P02545 5/20 0.40
FFAR4 Q5NUL3 1/20 0.40
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA7 P43166 2/20 0.38
CA9 Q16790 2/20 0.38
CA14 Q9ULX7 2/20 0.38
PDK2 Q15119 1/20 0.38
PDK4 Q16654 1/20 0.38
MAPK14 Q16539 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL13635304 0.86 POLB (0.44) ALDH1A1POLBRAB9AMYCTSHR
SCHEMBL4377764 0.77 ALDH1A1 (0.52) ALDH1A1POLBMYCTSHRTDP1
SCHEMBL4389789 0.76 MAPK14 (0.57) ALDH1A1POLBRAB9AMAPK14
SCHEMBL4379220 0.75 ALDH1A1 (0.50) ALDH1A1MYCLMNACA12CA1
SCHEMBL2706645 0.75 ALDH1A1 (0.60) ALDH1A1POLBTSHRTDP1L3MBTL1
SCHEMBL4387429 0.75 ALDH1A1 (0.47) ALDH1A1RAB9AMYCTDP1L3MBTL1
SCHEMBL4379826 0.75 ALDH1A1 (0.60) ALDH1A1POLBRAB9AMYCTSHR
SCHEMBL6504363 0.74 MYC (0.41) ALDH1A1POLBRAB9AMYCTDP1
SCHEMBL4380059 0.73 CYP1A2 (0.49) ALDH1A1RAB9ATDP1LMNACA12
SCHEMBL4378519 0.73 ALDH1A1 (0.45) ALDH1A1POLBTSHRTDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101531631-B Substituted pyridinones as modulators of p38 map kinase PHARMACIA CORP 2011-09-28 CN 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
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
CN-101531631-A Substituted pyridinones as modulators of p38 map kinase PHARMACIA CORP (US) 2009-09-16 CN disclosed
CN-100486576-C Substituted pyridones as modulators of P38MAP kinase PHARMACIA CORP (US) 2009-05-13 CN 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
CN-1646125-A Substituted pyridones as modulators of P38MAP kinase PHARMACIA CORP (US) 2005-07-27 CN disclosed
EP-1490064-A1 SUBSTITUTED PYRIDINONES AS MODULATORS OF P38 MAP KINASE Pharmacia Corporation (US) 2004-12-29 EP disclosed
US-20040058964-A1 Substituted pyridinones PHARMACIA LLC 2004-03-25 US disclosed
WO-2003068230-A1 SUBSTITUTED PYRIDINONES AS MODULATORS OF P38 MAP KINASE PHARMACIA CORPORATION (US) 2003-08-21 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 (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 787/4885POLB 1610/4885RAB9A 707/4885
US-20050176775-A1 Substituted pyridinones MAPK1, MAPK6, MAP3K6 ALDH1A1 741/4885POLB 1676/4885RAB9A 1289/4885

“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.