SCHEMBL6479736

SCHEMBL6479736

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

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.42
PTGS2 P35354 2/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
ALDH1A1 P00352 2/20 0.40
CYP26A1 O43174 1/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 2/20 0.38
EPHX2 P34913 1/20 0.38

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
SCHEMBL6934292 0.89 LTA4H (0.45) LTA4HL3MBTL1KMT2AMEN1ALDH1A1
SCHEMBL7385100 0.85 SMN1; SMN2 (0.53) KMT2AMEN1ALDH1A1KDM4EPOLB
SCHEMBL6623432 0.79 EPHX2 (0.52) PTGS2EPHX2
SCHEMBL29705753 0.77 ALDH1A1 (0.51) PTGS2KMT2AMEN1ALDH1A1POLB
SCHEMBL17290963 0.76 ALDH1A1 (0.47) KMT2AMEN1ALDH1A1
SCHEMBL6490290 0.75 KMT2A (0.45) LTA4HL3MBTL1KMT2AMEN1TAAR1
SCHEMBL2405923 0.74 FOLH1 (0.42) KMT2AMEN1ALDH1A1KDM4E
SCHEMBL13228080 0.73 LMNA (0.47) KMT2AMEN1ALDH1A1KDM4EEPHX2
SCHEMBL4462758 0.73 HDAC3 (0.57) KMT2AMEN1ALDH1A1
SCHEMBL2662926 0.73 LTA4H (0.55) LTA4HL3MBTL1PTGS2KMT2AMEN1

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 LTA4H 1727/4885L3MBTL1 3347/4885PTGS2 238/4885
US-20040122025-A1 Isoxazolone compounds useful in treating diseases associated with unwanted cytokine activity TNF, IL5, GPR35 LTA4H 1727/4885L3MBTL1 3347/4885PTGS2 238/4885

“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.