SCHEMBL6491709

SCHEMBL6491709

CN(C)c1cccc(C(=O)n2oc(=O)c(-c3ccc(F)cc3)c2-c2ccncc2)c1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 15/20 0.63
LMNA P02545 1/20 0.44
HSD11B1 P28845 1/20 0.43
ABL1 P00519 2/20 0.42
BCR P11274 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
PLA2G1B P04054 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ATG4B Q9Y4P1 1/20 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
SCHEMBL6486365 0.88 MAPK14 (0.68) MAPK14MAPT
SCHEMBL6479610 0.81 MAPK14 (0.67) MAPK14
SCHEMBL6490407 0.78 MAPK14 (1.00) MAPK14
SCHEMBL6480518 0.77 MAPK14 (0.68) MAPK14
SCHEMBL6489361 0.76 MAPK14 (0.66) MAPK14GAA
SCHEMBL6492211 0.76 MAPK14 (0.66) MAPK14
SCHEMBL6478837 0.73 MAPK14 (0.57) MAPK14MAPT
SCHEMBL6486370 0.73 MAPK14 (0.72) MAPK14
SCHEMBL6480679 0.71 MAPK14 (0.71) MAPK14
SCHEMBL6479939 0.71 MAPK14 (0.68) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6790846-B2 SUCH AS 2-ETHYOXYMETHYL-4-(4-FLOUROPHENYL)-3-PYRIDIN-4-YL-2H-ISOXAZOL-5-ONE FOR INHIBITION OF THE RELEASE OF INFLAMMATORY CYTOKINES SUCH AS INTERLEUKIN-1 AND TUMOR NECROSIS FACTOR; TREATMENT OF ARTHRITIS AND CONGESTIVE HEART FAILURE THE PROCTER & GAMBLE COMPANY 2004-09-14 US claimed
US-20030096814-A1 Isoxazolone compounds useful in treating diseases associated with unwanted cytokine activity PROCTER & GAMBLE COMPANY, THE 2003-05-22 US claimed
US-6919346-B2 Isoxazolone compounds useful in treating diseases associated with unwanted cytokine activity THE PROCTER & GAMBLE COMPANY (US) 2005-07-19 US disclosed
US-6790846-B2 SUCH AS 2-ETHYOXYMETHYL-4-(4-FLOUROPHENYL)-3-PYRIDIN-4-YL-2H-ISOXAZOL-5-ONE FOR INHIBITION OF THE RELEASE OF INFLAMMATORY CYTOKINES SUCH AS INTERLEUKIN-1 AND TUMOR NECROSIS FACTOR; TREATMENT OF ARTHRITIS AND CONGESTIVE HEART FAILURE THE PROCTER & GAMBLE COMPANY 2004-09-14 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 (1 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-20030096814-A1 Isoxazolone compounds useful in treating diseases associated with unwanted cytokine activity TNF, IL5, GPR35 MAPK14 1280/4885LMNA 3593/4885HSD11B1 179/4885

“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.