SCHEMBL3964869

SCHEMBL3964869

O=C(Nc1ccc(C(F)(F)F)cc1)NC1CCN(S(=O)(=O)c2ccc(C(=O)O)cc2)CC1

nearest known ligand 0.75

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.75
EPHX2 P34913 12/20 0.68
MAPT P10636 1/20 0.63
XBP1 P17861 1/20 0.63
HTT P42858 1/20 0.63
TRPV4 Q9HBA0 4/20 0.62
GAA P10253 1/20 0.62
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61

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
SCHEMBL3956807 0.90 EPHX1 (0.76) EPHX1EPHX2MAPTXBP1HTT
SCHEMBL4011697 0.89 EPHX1 (0.78) EPHX1EPHX2MAPTXBP1HTT
SCHEMBL4015609 0.88 EPHX1 (0.76) EPHX1EPHX2MAPTXBP1HTT
SCHEMBL3965492 0.86 MEN1 (0.62) EPHX1EPHX2MAPTHTTGAA
SCHEMBL3960891 0.83 MAPT (0.89) EPHX1EPHX2MAPTXBP1HTT
SCHEMBL4012507 0.83 MAPT (0.72) EPHX1EPHX2MAPTXBP1HTT
SCHEMBL3960624 0.83 EPHX2 (0.73) EPHX2
SCHEMBL2717121 0.81 EPHX2 (1.00) EPHX1EPHX2
SCHEMBL2716707 0.81 EPHX2 (1.00) EPHX1EPHX2
SCHEMBL1425676 0.81 KMT2A (0.89) EPHX1EPHX2MAPTXBP1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090247521-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS FOR THE TREATMENT OF ENDOTHELIAL DYSFUNCTION ARETE THERAPEUTICS, INC. 2009-10-01 US claimed
EP-2079695-A2 PHENYLUREA COMPOUNDS AS SOLUBLE EPOXIDE HYDROLASE INHIBITORS Arete Therapeutics, INC. (US) 2009-07-22 EP claimed
WO-2009086426-A2 SOLUBLE EPOXIDE HYDROLASE INHIBITORS FOR THE TREATMENT OF ENDOTHELIAL DYSFUNCTION ARETE THERAPEUTICS, INC. (US) 2009-07-09 WO claimed
US-20080221100-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. 2008-09-11 US claimed
WO-2008051873-A2 PHENYLUREA COMPOUNDS AS SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. (US) 2008-05-02 WO claimed
US-20090247521-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS FOR THE TREATMENT OF ENDOTHELIAL DYSFUNCTION ARETE THERAPEUTICS, INC. 2009-10-01 US disclosed
US-20090247521-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS FOR THE TREATMENT OF ENDOTHELIAL DYSFUNCTION ARETE THERAPEUTICS, INC. 2009-10-01 US disclosed
US-20090247521-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS FOR THE TREATMENT OF ENDOTHELIAL DYSFUNCTION ARETE THERAPEUTICS, INC. 2009-10-01 US disclosed
WO-2009086426-A2 SOLUBLE EPOXIDE HYDROLASE INHIBITORS FOR THE TREATMENT OF ENDOTHELIAL DYSFUNCTION ARETE THERAPEUTICS, INC. (US) 2009-07-09 WO disclosed
US-20080221100-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. 2008-09-11 US disclosed
US-20080221100-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. 2008-09-11 US disclosed
US-20080221100-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. 2008-09-11 US disclosed
WO-2008051873-A2 PHENYLUREA COMPOUNDS AS SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. (US) 2008-05-02 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-20090247521-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS FOR THE TREATMENT OF ENDOTHELIAL DYSFUNCTION EPHX1, ECE1, LIPG EPHX1 1/4885EPHX2 5/4885MAPT 3633/4885
US-20080221100-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS EPHX1, EPHX2, NCEH1 EPHX1 1/4885EPHX2 2/4885MAPT 3982/4885

“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.