SCHEMBL6479534

SCHEMBL6479534

COc1ccc(Cc2nc(-c3[nH]oc(=O)c3-c3ccc(F)cc3)co2)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.44
S1PR1 P21453 2/20 0.41
S1PR3 Q99500 2/20 0.41
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
RIPK3 Q9Y572 1/20 0.37
TP53 P04637 1/20 0.37
GRM2 Q14416 1/20 0.37
MET P08581 3/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36

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
SCHEMBL3794098 0.63 LTA4H (0.65) MEN1KMT2AHTTL3MBTL1MAPK1
SCHEMBL6478990 0.63 MAPK14 (0.54) MAPK14TDP1L3MBTL1MAPK1SMN1; SMN2
SCHEMBL1002381 0.62 S1PR1 (0.47) S1PR1S1PR3
SCHEMBL6480652 0.62 MAPK14 (1.00) MAPK14
SCHEMBL554787 0.62 KLKB1 (0.54) S1PR1S1PR3HTTTDP1L3MBTL1
SCHEMBL1975554 0.61 KLKB1 (0.56) S1PR1S1PR3HTTTDP1L3MBTL1
SCHEMBL5639069 0.61 ENPP3 (0.59) S1PR1S1PR3TP53HTTTDP1
SCHEMBL5639322 0.61 ENPP3 (0.59) S1PR1S1PR3MEN1KMT2ASMN1; SMN2
SCHEMBL31180788 0.60 MEN1 (0.56) MEN1KMT2ATP53L3MBTL1MAPK1
SCHEMBL13732755 0.59 ENPP3 (0.56) S1PR1S1PR3SMN1; SMN2MAPT

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 1280/4885S1PR1 3839/4885S1PR3 4116/4885

“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.