SCHEMBL4011697

SCHEMBL4011697

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

nearest known ligand 0.78

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.78
MAPT P10636 2/20 0.78
XBP1 P17861 1/20 0.78
HTT P42858 1/20 0.78
SMN1; SMN2 Q16637 2/20 0.77
MEN1 O00255 2/20 0.77
KMT2A Q03164 2/20 0.77
EPHX2 P34913 13/20 0.71
GAA P10253 2/20 0.64
LMNA P02545 1/20 0.64
NPY1R P25929 1/20 0.60
NPY2R P49146 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
POLB P06746 1/20 0.59

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
SCHEMBL1425676 0.92 KMT2A (0.89) EPHX1MAPTXBP1HTTSMN1; SMN2
SCHEMBL4015609 0.90 EPHX1 (0.76) EPHX1MAPTXBP1HTTSMN1; SMN2
SCHEMBL3956807 0.90 EPHX1 (0.76) EPHX1MAPTXBP1HTTSMN1; SMN2
SCHEMBL3964869 0.89 EPHX1 (0.75) EPHX1MAPTXBP1HTTSMN1; SMN2
SCHEMBL3964774 0.88 MAPT (0.82) EPHX1MAPTXBP1HTTSMN1; SMN2
SCHEMBL3959599 0.87 KMT2A (0.80) EPHX1MAPTXBP1HTTSMN1; SMN2
SCHEMBL3964613 0.86 MEN1 (0.79) EPHX1MAPTXBP1HTTSMN1; SMN2
SCHEMBL3960891 0.85 MAPT (0.89) EPHX1MAPTXBP1HTTMEN1
SCHEMBL4012507 0.85 MAPT (0.72) EPHX1MAPTXBP1HTTSMN1; SMN2
SCHEMBL2717121 0.83 EPHX2 (1.00) EPHX1EPHX2

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
CN-101535259-A Phenylurea compounds as soluble epoxide hydrolase inhibitors ARETE THERAPEUTICS INC (US) 2009-09-16 CN 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
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
CN-101535259-A Phenylurea compounds as soluble epoxide hydrolase inhibitors ARETE THERAPEUTICS INC (US) 2009-09-16 CN 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 1/4885MAPT 3633/4885XBP1 593/4885
US-20080221100-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS EPHX1, EPHX2, NCEH1 EPHX1 1/4885MAPT 3982/4885XBP1 1173/4885

“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.