SCHEMBL4386846

SCHEMBL4386846

Cc1cc(-n2c(C)cc(OC(F)(F)c3ccccc3)c(Br)c2=O)ccc1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 6/20 0.42
MAPK14 Q16539 8/20 0.39
MYC P01106 2/20 0.38
KLKB1 P03952 1/20 0.38
CTSB P07858 1/20 0.38
ELANE P08246 1/20 0.38
MMP9 P14780 1/20 0.38
DUSP3 P51452 1/20 0.38
NR4A1 P22736 1/20 0.38
ALDH1A1 P00352 1/20 0.36
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
PKM P14618 1/20 0.36
NR1H4 Q96RI1 1/20 0.36
PTGER1 P34995 1/20 0.35

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
SCHEMBL4384806 0.88 MAPK14 (0.46) MAPK14ALDH1A1RXRAPKM
SCHEMBL4386842 0.83 ALDH1A1 (0.46) NOTUMMAPK14ALDH1A1PKM
SCHEMBL4390694 0.81 NOTUM (0.44) NOTUMMYCKLKB1CTSBELANE
SCHEMBL4386844 0.78 MAPK14 (0.41) NOTUMMAPK14PTGER1
SCHEMBL4386839 0.75 MAPK14 (0.56) MAPK14PTGER1
SCHEMBL4381253 0.73 MAPK14 (0.73) MAPK14
SCHEMBL17177038 0.68 MYC (0.74) NOTUMMYCKLKB1CTSBELANE
SCHEMBL4384808 0.66 MAPK14 (0.47) MAPK14ALDH1A1PKM
SCHEMBL561046 0.66 NOTUM (0.68) NOTUMMYCKLKB1CTSBELANE
SCHEMBL4374537 0.65 MAPK14 (0.50) MAPK14ALDH1A1RXRARXRBPTGER1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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 NOTUM 3993/4885MAPK14 41/4885MYC 4291/4885
US-20050176775-A1 Substituted pyridinones MAPK1, MAPK6, MAP3K6 NOTUM 4121/4885MAPK14 53/4885MYC 4410/4885

“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.