SCHEMBL4477412

SCHEMBL4477412

CS(=O)(=O)Oc1ccn(Cc2ccccc2)c(=O)c1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.63
ADORA2A P29274 1/20 0.43
ALDH1A1 P00352 2/20 0.42
MCHR1 Q99705 1/20 0.42
ALDH1A2 O94788 1/20 0.42
ALDH1B1 P30837 1/20 0.42
ALDH1A3 P47895 1/20 0.42
FAAH O00519 1/20 0.41
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
TP53 P04637 1/20 0.41
CYP2D6 P10635 1/20 0.41
MEN1 O00255 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL17392844 0.82 MAPK14 (0.70) MAPK14ADORA2AALDH1A1KDM4ETP53
SCHEMBL4481396 0.79 MAPK14 (0.70) MAPK14ADORA2AMCHR1MEN1KMT2A
SCHEMBL4476311 0.78 MAPK14 (0.76) MAPK14MCHR1
SCHEMBL2177074 0.78 MAPK14 (1.00) MAPK14ALDH1A1MCHR1HTTSMN1; SMN2
SCHEMBL12594012 0.76 MAPK14 (0.70) MAPK14MCHR1
SCHEMBL4481745 0.76 ALDH1A1 (0.47) ALDH1A1ALDH1A2ALDH1B1ALDH1A3SMN1; SMN2
SCHEMBL2176240 0.75 MAPK14 (0.68) MAPK14MCHR1TP53
SCHEMBL3527521 0.75 MAPK14 (0.44) MAPK14ADORA2ASMN1; SMN2
SCHEMBL2174876 0.74 MAPK14 (0.84) MAPK14ALDH1A1MCHR1HTTSMN1; SMN2
SCHEMBL4468505 0.74 MAPK14 (0.84) MAPK14ALDH1A1MCHR1HTTSMN1; 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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070088033-A1 Diaryl Substituted Pyridinones DEVADAS BALEKUDRU 2007-04-19 US claimed
US-20060211694-A1 antiinflammatory agent for treating asthma and chronic pulmonary inflammatory disease PHARMACIA CORPORATION, GLOBAL PATENT DEPARTMENT (US) 2006-09-21 US claimed
EP-1490064-A1 SUBSTITUTED PYRIDINONES AS MODULATORS OF P38 MAP KINASE Pharmacia Corporation (US) 2004-12-29 EP claimed
US-20040058964-A1 Substituted pyridinones PHARMACIA LLC 2004-03-25 US claimed
WO-2003068230-A1 SUBSTITUTED PYRIDINONES AS MODULATORS OF P38 MAP KINASE PHARMACIA CORPORATION (US) 2003-08-21 WO claimed
US-7629363-B2 antiinflammatory agent for treating asthma and chronic pulmonary inflammatory disease PFIZER INC (US) 2009-12-08 US disclosed
US-20070088033-A1 Diaryl Substituted Pyridinones DEVADAS BALEKUDRU 2007-04-19 US disclosed
US-20060211694-A1 antiinflammatory agent for treating asthma and chronic pulmonary inflammatory disease PHARMACIA CORPORATION, GLOBAL PATENT DEPARTMENT (US) 2006-09-21 US 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
WO-2005018557-A2 SUBSTITUTED PYRIDINONES PHARMACIA CORPORATION (US) 2005-03-03 WO 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 (4 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 MAPK14 41/4885ADORA2A 845/4885ALDH1A1 787/4885
US-20060211694-A1 antiinflammatory agent for treating asthma and chronic pulmonary inflammatory disease LTB4R2, LTB4R, MAPK1 MAPK14 79/4885ADORA2A 543/4885ALDH1A1 1030/4885
US-20050176775-A1 Substituted pyridinones MAPK1, MAPK6, MAP3K6 MAPK14 53/4885ADORA2A 325/4885ALDH1A1 741/4885
US-20070088033-A1 Diaryl Substituted Pyridinones MAPK1, MAPK6, MAP3K6 MAPK14 46/4885ADORA2A 623/4885ALDH1A1 1080/4885

“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.