SCHEMBL942295

SCHEMBL942295

O=C(ON1CCC(c2ccc(OC(F)(F)F)cc2)CC1)C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 9/20 0.47
FAAH O00519 1/20 0.47
EPHX1 P07099 2/20 0.43
GRM2 Q14416 1/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD11B1 P28845 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
EGLN1 Q9GZT9 2/20 0.40
MGLL Q99685 1/20 0.40
SCN9A Q15858 1/20 0.40
P2RY14 Q15391 1/20 0.40
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
MAPK7 Q13164 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
SCHEMBL21381950 0.92 MEN1 (0.45) EPHX2FAAHEPHX1GRM2MEN1
SCHEMBL28752729 0.89 EPHX2 (0.46) EPHX2FAAHEPHX1MEN1KMT2A
SCHEMBL381670 0.84 MMP3 (0.50) HSD11B1HRH3
SCHEMBL8528754 0.82 SLC18A3 (0.46) HRH3CYP2C9
SCHEMBL4183397 0.77 GPR119 (0.61) EPHX2FAAHSCN9AP2RY14
SCHEMBL21381996 0.77 NOTUM (0.47) FAAHMEN1KMT2AHSD11B1MGLL
SCHEMBL4564168 0.77 L3MBTL1 (0.47) EPHX2FAAHEPHX1GRM2MEN1
SCHEMBL14438091 0.76 HTR2A (0.53) EPHX2FAAHGRM2MEN1KMT2A
SCHEMBL17130352 0.76 EPHX2 (0.63) EPHX2FAAHEPHX1HRH3EGLN1
SCHEMBL22816583 0.76 ESR2 (0.53) EPHX2FAAHEPHX1GRM2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110003853-A1 Metalloproteinase Inhibitors ASTRAZENECA AB (SE) 2011-01-06 US disclosed
US-7625934-B2 Metalloproteinase inhibitors ASTRAZENECA AB (SE) 2009-12-01 US disclosed
US-7427631-B2 especially as inhibitors of MMP12 ASTRAZENECA AB (SE) 2008-09-23 US disclosed
US-20080171882-A1 Metalloproteinase Inhibitors ASTRAZENECA AB (SE) 2008-07-17 US disclosed
EP-1370556-B1 METALLOPROTEINASE INHIBITORS ASTRAZENECA AB (SE) 2006-07-19 EP disclosed
EP-1676846-A2 Hydantoin derivatives as MMP inhibitors AstraZeneca AB (SE) 2006-07-05 EP disclosed
US-20040147573-A1 Metalloproteinase inhibitors ASTRAZENECA AB (SE) 2004-07-29 US disclosed
EP-1370536-A1 METALLOPROTEINASE INHIBITORS AstraZeneca AB (SE) 2003-12-17 EP disclosed
EP-1370556-A1 METALLOPROTEINASE INHIBITORS AstraZeneca AB (SE) 2003-12-17 EP disclosed
WO-2002074767-A1 METALLOPROTEINASE INHIBITORS ASTRAZENECA AB (SE) 2002-09-26 WO disclosed
WO-2002074750-A1 METALLOPROTEINASE INHIBITORS ASTRAZENECA AB (SE) 2002-09-26 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 (3 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-20110003853-A1 Metalloproteinase Inhibitors MMP9, MMP12, MMP14 EPHX2 1178/4885FAAH 1197/4885EPHX1 621/4885
US-20080171882-A1 Metalloproteinase Inhibitors MMP9, MMP12, MMP14 EPHX2 1178/4885FAAH 1197/4885EPHX1 621/4885
US-20040147573-A1 Metalloproteinase inhibitors MMP12, MMP7, MMP10 EPHX2 1144/4885FAAH 1358/4885EPHX1 650/4885

“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.