SCHEMBL6480015

SCHEMBL6480015

CSc1nccc(-c2c(-c3ccc(F)cc3)c(=O)on2C(=O)N2CCOCC2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 14/20 0.49
MAPK13 O15264 1/20 0.49
MAPK12 P53778 1/20 0.49
MAPK11 Q15759 1/20 0.49
HTT P42858 2/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CCNA2 P20248 1/20 0.41
CDK2 P24941 1/20 0.41
CSNK1E P49674 1/20 0.41
CDK5 Q00535 1/20 0.41
CDK5R1 Q15078 1/20 0.41
LMNA P02545 2/20 0.40
PDE4B Q07343 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL6480525 0.91 MAPK14 (0.43) MAPK14MAPK13MAPK12MAPK11ALDH1A1
SCHEMBL6479938 0.78 MAPK14 (0.66) MAPK14MAPK13MAPK12MAPK11HTT
SCHEMBL6477516 0.74 MAPK14 (0.54) MAPK14MAPK13MAPK12MAPK11CCNA2
SCHEMBL6478725 0.74 MAPK14 (0.65) MAPK14MAPK13MAPK12MAPK11CCNA2
SCHEMBL4227024 0.70 MAPK13 (0.66) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6479939 0.70 MAPK14 (0.68) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6768279 0.69 CCNA2 (0.51) MAPK14MAPK13MAPK12MAPK11ALDH1A1
SCHEMBL6204650 0.67 MAPK13 (0.49) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6199767 0.67 MAPK13 (0.49) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6488266 0.67 MAPK14 (0.54) MAPK14MAPK13MAPK12MAPK11ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6919346-B2 Isoxazolone compounds useful in treating diseases associated with unwanted cytokine activity THE PROCTER & GAMBLE COMPANY (US) 2005-07-19 US claimed
US-20040122025-A1 Isoxazolone compounds useful in treating diseases associated with unwanted cytokine activity THE PROCTER & GAMBLE COMPANY 2004-06-24 US claimed
EP-1392299-A1 ISOXAZOLONE COMPOUNDS USEFUL IN TREATING DISEASES ASSOCIATED WITH UNWANTED CYTOKINE ACTIVITY THE PROCTER & GAMBLE COMPANY (US) 2004-03-03 EP claimed
US-20030096814-A1 Isoxazolone compounds useful in treating diseases associated with unwanted cytokine activity PROCTER & GAMBLE COMPANY, THE 2003-05-22 US claimed
WO-2002094266-A1 ISOXAZOLONE COMPOUNDS USEFUL IN TREATING DISEASES ASSOCIATED WITH UNWANTED CYTOKINE ACTIVITY THE PROCTER & GAMBLE COMPANY (US) 2002-11-28 WO 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 (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 1280/4885MAPK13 2833/4885MAPK12 1402/4885
US-20040122025-A1 Isoxazolone compounds useful in treating diseases associated with unwanted cytokine activity TNF, IL5, GPR35 MAPK14 1280/4885MAPK13 2833/4885MAPK12 1402/4885

“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.