SCHEMBL6490290

SCHEMBL6490290

COC(=O)C(c1ccc(F)cc1)C(O)c1ccncc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.45
MEN1 O00255 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
LTA4H P09960 1/20 0.41
MAPKAPK2 P49137 1/20 0.41
HSD17B10 Q99714 1/20 0.39
POLB P06746 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
CYP19A1 P11511 1/20 0.38
CYP26A1 O43174 1/20 0.38
DPP4 P27487 1/20 0.37
DPP7 Q9UHL4 1/20 0.37
SLC6A9 P48067 1/20 0.37
TSHR P16473 1/20 0.37
FFAR2 O15552 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL27418947 0.85 LTA4H (0.47) KMT2AMEN1TAAR1LTA4HMAPKAPK2
SCHEMBL3061844 0.78 USP2 (0.47) KMT2AMEN1TAAR1LTA4HMAPKAPK2
SCHEMBL5519250 0.77 KMT2A (0.53) KMT2AMEN1DPP4DPP7TSHR
SCHEMBL9908240 0.77 KMT2A (0.53) KMT2AMEN1DPP4DPP7TSHR
SCHEMBL6479736 0.75 LTA4H (0.47) KMT2AMEN1TAAR1LTA4HPOLB
SCHEMBL4041839 0.74 SCN9A (0.37) KMT2ADPP4DPP7TSHRALDH1A1
SCHEMBL30943794 0.74 HDAC3 (0.45) ALDH1A1HTT
SCHEMBL28755053 0.73 SCN9A (0.36) KMT2ADPP4DPP7MAPT
SCHEMBL1566971 0.73 HDAC3 (0.46) KMT2AMEN1TSHRALDH1A1MAPT
SCHEMBL1566235 0.73 HDAC3 (0.46) KMT2AMEN1TSHRALDH1A1MAPT

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 6 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 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 KMT2A 4419/4885MEN1 3290/4885TAAR1 3858/4885
US-20040122025-A1 Isoxazolone compounds useful in treating diseases associated with unwanted cytokine activity TNF, IL5, GPR35 KMT2A 4419/4885MEN1 3290/4885TAAR1 3858/4885

“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.