SCHEMBL4481745

SCHEMBL4481745

Cc1cc(OS(C)(=O)=O)cc(=O)n1Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
KMT2A Q03164 4/20 0.47
MEN1 O00255 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MAPK1 P28482 1/20 0.46
GRIA2 P42262 1/20 0.44
ATM Q13315 1/20 0.44
NOTUM Q6P988 1/20 0.43
MAPT P10636 3/20 0.43
LMNA P02545 2/20 0.43
HPGD P15428 1/20 0.43
CNR1 P21554 1/20 0.42
TSHR P16473 1/20 0.42
ALDH1A2 O94788 1/20 0.41
ALDH1B1 P30837 1/20 0.41
ALDH1A3 P47895 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
NSD2 O96028 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
SCHEMBL4376107 0.80 MAPK14 (0.57) ALDH1A1KMT2AMEN1SMN1; SMN2MAPK1
SCHEMBL4477412 0.76 MAPK14 (0.63) ALDH1A1KMT2AMEN1SMN1; SMN2HPGD
SCHEMBL3525235 0.76 ALDH1A1 (0.45) ALDH1A1KMT2AMEN1SMN1; SMN2MAPK1
SCHEMBL14038766 0.76 KMT2A (0.56) ALDH1A1KMT2AMEN1SMN1; SMN2MAPK1
SCHEMBL4478944 0.75 ALDH1A1 (0.50) ALDH1A1KMT2ASMN1; SMN2MAPK1NOTUM
SCHEMBL4374309 0.74 GRM5 (0.55) LMNA
SCHEMBL13440548 0.73 HPGD (0.56) ALDH1A1KMT2AMEN1SMN1; SMN2MAPK1
SCHEMBL4392970 0.73 LMNA (0.60) ALDH1A1KMT2AMEN1SMN1; SMN2MAPK1
SCHEMBL13678551 0.73 SMN1; SMN2 (0.44) ALDH1A1KMT2AMEN1SMN1; SMN2MAPK1
SCHEMBL7835720 0.72 KMT2A (0.69) ALDH1A1KMT2AMEN1SMN1; SMN2MAPK1

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-20040058964-A1 Substituted pyridinones PHARMACIA LLC 2004-03-25 US 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 787/4885KMT2A 4674/4885MEN1 4261/4885
US-20050176775-A1 Substituted pyridinones MAPK1, MAPK6, MAP3K6 ALDH1A1 741/4885KMT2A 4574/4885MEN1 3919/4885

“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.