SCHEMBL6478345

SCHEMBL6478345

O=C(OCc1ccccc1)N1CCN(C(=O)n2oc(=O)c(-c3ccc(F)cc3)c2-c2ccncc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 15/20 0.54
TRPC3 Q13507 1/20 0.44
TRPC7 Q9HCX4 1/20 0.44
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
GRIN2B Q13224 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
KDM1A O60341 1/20 0.40

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
SCHEMBL6478414 0.89 MAPK14 (0.62) MAPK14
SCHEMBL6479939 0.81 MAPK14 (0.68) MAPK14CYP2C9
SCHEMBL6490022 0.73 MAPK14 (0.70) MAPK14
SCHEMBL6492211 0.72 MAPK14 (0.66) MAPK14
SCHEMBL6490407 0.71 MAPK14 (1.00) MAPK14
SCHEMBL6803257 0.71 MAPK14 (0.74) MAPK14
SCHEMBL6478903 0.71 MAPK14 (0.70) MAPK14
SCHEMBL22589298 0.70 TRPC3 (0.51) MAPK14TRPC3TRPC7CYP2D6CYP2C9
SCHEMBL6479610 0.70 MAPK14 (0.67) MAPK14
SCHEMBL13149480 0.69 CYP2D6 (0.60) CYP2D6CYP2C9GRIN2BMEN1KMT2A

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 1280/4885TRPC3 4731/4885TRPC7 3752/4885

“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.