SCHEMBL4473993

SCHEMBL4473993

O=C(O)CCn1ccc(OCc2ccccc2)c(Br)c1=O

nearest known ligand 0.70

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 13/20 0.70
GRM2 Q14416 1/20 0.46
KMO O15229 1/20 0.44
THRA P10827 1/20 0.44
THRB P10828 1/20 0.44
PARP1 P09874 1/20 0.43
FFAR4 Q5NUL3 2/20 0.42
FFAR1 O14842 2/20 0.42

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
SCHEMBL4477627 0.90 MAPK14 (0.67) MAPK14GRM2
SCHEMBL4385111 0.88 MAPK14 (0.64) MAPK14GRM2
SCHEMBL5861929 0.87 MAPK14 (0.73) MAPK14GRM2THRATHRB
SCHEMBL4389963 0.86 MAPK14 (0.61) MAPK14GRM2
SCHEMBL20382952 0.83 MAPK14 (0.47) MAPK14GRM2KMOPARP1FFAR4
SCHEMBL4470415 0.82 MAPK14 (1.00) MAPK14GRM2
Hydrochloric Acid SCHEMBL4481459 0.82 MAPK14 (0.57) MAPK14GRM2THRB
SCHEMBL4475995 0.82 MAPK14 (0.57) MAPK14
SCHEMBL27779082 0.82 MAPK14 (0.62) MAPK14
SCHEMBL4383208 0.81 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 6 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
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 MAPK14 41/4885GRM2 1349/4885KMO 1786/4885
US-20050176775-A1 Substituted pyridinones MAPK1, MAPK6, MAP3K6 MAPK14 53/4885GRM2 1436/4885KMO 1362/4885

“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.