SCHEMBL6479938

SCHEMBL6479938

O=C(N1CCOCC1)n1oc(=O)c(-c2ccc(F)cc2)c1-c1ccncc1

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 18/20 0.66
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
AKR1C3 P42330 1/20 0.44
MAPK13 O15264 1/20 0.43
MAPK12 P53778 1/20 0.43
MAPK11 Q15759 1/20 0.43

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
SCHEMBL6479939 0.88 MAPK14 (0.68) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6490407 0.80 MAPK14 (1.00) MAPK14
SCHEMBL6478345 0.80 MAPK14 (0.54) MAPK14
SCHEMBL6480015 0.78 MAPK14 (0.49) MAPK14LMNAHTTMAPK13MAPK12
SCHEMBL6486370 0.75 MAPK14 (0.72) MAPK14
SCHEMBL6768369 0.74 MAPK14 (0.48) MAPK14LMNAHTTAKR1C3MAPK13
SCHEMBL6487425 0.74 MAPK14 (0.64) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6492211 0.73 MAPK14 (0.66) MAPK14
SCHEMBL6489361 0.73 MAPK14 (0.66) MAPK14
SCHEMBL6490431 0.73 MAPK14 (0.67) 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 8 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
US-20040122025-A1 Isoxazolone compounds useful in treating diseases associated with unwanted cytokine activity THE PROCTER & GAMBLE COMPANY 2004-06-24 US disclosed
EP-1392299-A1 ISOXAZOLONE COMPOUNDS USEFUL IN TREATING DISEASES ASSOCIATED WITH UNWANTED CYTOKINE ACTIVITY THE PROCTER & GAMBLE COMPANY (US) 2004-03-03 EP disclosed
US-20030096814-A1 Isoxazolone compounds useful in treating diseases associated with unwanted cytokine activity PROCTER & GAMBLE COMPANY, THE 2003-05-22 US disclosed
WO-2002094266-A1 ISOXAZOLONE COMPOUNDS USEFUL IN TREATING DISEASES ASSOCIATED WITH UNWANTED CYTOKINE ACTIVITY THE PROCTER & GAMBLE COMPANY (US) 2002-11-28 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-20030096814-A1 Isoxazolone compounds useful in treating diseases associated with unwanted cytokine activity TNF, IL5, GPR35 MAPK14 1280/4885LMNA 3593/4885HTT 1938/4885
US-20040122025-A1 Isoxazolone compounds useful in treating diseases associated with unwanted cytokine activity TNF, IL5, GPR35 MAPK14 1280/4885LMNA 3593/4885HTT 1938/4885

“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.