SCHEMBL4472970

SCHEMBL4472970

Cc1cc(OS(=O)(=O)c2ccc(Br)cc2)c(Br)c(=O)n1Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
MAPK14 Q16539 11/20 0.41
PKM P14618 1/20 0.40
CYP1A2 P05177 1/20 0.40
GAA P10253 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
CNR1 P21554 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPK8 P45983 1/20 0.38
MAPK9 P45984 1/20 0.38
MAPK10 P53779 1/20 0.38

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
SCHEMBL4478944 0.84 ALDH1A1 (0.50) ALDH1A1MAPK14PKMMAPK1SMN1; SMN2
SCHEMBL4379940 0.81 ALDH1A1 (0.44) ALDH1A1CYP1A2GAACYP2D6CYP2C9
SCHEMBL3519099 0.79 ALDH1A1 (0.44) ALDH1A1PKMCYP1A2GAACYP2D6
SCHEMBL4381263 0.77 MAPK14 (0.65) MAPK14
SCHEMBL3528019 0.74 MAPT (0.43) ALDH1A1CYP1A2GAACYP2D6CYP2C9
SCHEMBL4377634 0.73 MAPK14 (0.52) ALDH1A1MAPK14PKM
SCHEMBL4378510 0.71 MAPK14 (0.60) MAPK14
SCHEMBL4382351 0.71 ALDH1A1 (0.50) ALDH1A1MAPK1SMN1; SMN2MEN1KMT2A
SCHEMBL4510292 0.70 MAPK14 (0.68) MAPK14
SCHEMBL4380067 0.68 MAPK14 (0.81) MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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 787/4885MAPK14 41/4885PKM 543/4885
US-20050176775-A1 Substituted pyridinones MAPK1, MAPK6, MAP3K6 ALDH1A1 741/4885MAPK14 53/4885PKM 451/4885

“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.