SCHEMBL4010742

SCHEMBL4010742

CC(=O)N1CCC(NC(=O)Nc2ccc(S(C)(=O)=O)cc2)CC1

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 16/20 0.66
EPHX1 P07099 1/20 0.62
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA9 Q16790 1/20 0.53
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
GAA P10253 1/20 0.52
CYP2C19 P33261 1/20 0.52
POLB P06746 1/20 0.51

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
SCHEMBL4555384 0.88 EPHX2 (0.63) EPHX2EPHX1
SCHEMBL4016221 0.86 EPHX2 (0.54) EPHX2EPHX1MEN1KMT2ASMN1; SMN2
SCHEMBL14072843 0.84 EPHX2 (0.74) EPHX2EPHX1MEN1KMT2ASMN1; SMN2
SCHEMBL13768765 0.84 EPHX2 (0.72) EPHX2EPHX1GAA
SCHEMBL4013949 0.83 CA12 (0.72) EPHX2EPHX1CA12CA1CA2
SCHEMBL5000909 0.83 EPHX2 (0.74) EPHX2EPHX1MEN1KMT2A
SCHEMBL1425023 0.83 EPHX2 (0.74) EPHX2EPHX1MEN1KMT2ASMN1; SMN2
SCHEMBL4011008 0.83 L3MBTL1 (0.63) EPHX2EPHX1MEN1KMT2ASMN1; SMN2
SCHEMBL27799380 0.83 EPHX2 (0.61) EPHX2
SCHEMBL4997641 0.82 EPHX2 (0.73) EPHX2EPHX1KMT2ASMN1; SMN2

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
CN-101679258-A 4-piperidinylurea compounds as soluble epoxide hydrolase inhibitors ARETE THERAPEUTICS INC 2010-03-24 CN claimed
US-20090247521-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS FOR THE TREATMENT OF ENDOTHELIAL DYSFUNCTION ARETE THERAPEUTICS, INC. 2009-10-01 US claimed
WO-2009086426-A2 SOLUBLE EPOXIDE HYDROLASE INHIBITORS FOR THE TREATMENT OF ENDOTHELIAL DYSFUNCTION ARETE THERAPEUTICS, INC. (US) 2009-07-09 WO claimed
US-20080227780-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. 2008-09-18 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
WO-2009086426-A2 SOLUBLE EPOXIDE HYDROLASE INHIBITORS FOR THE TREATMENT OF ENDOTHELIAL DYSFUNCTION ARETE THERAPEUTICS, INC. (US) 2009-07-09 WO disclosed
WO-2009086426-A2 SOLUBLE EPOXIDE HYDROLASE INHIBITORS FOR THE TREATMENT OF ENDOTHELIAL DYSFUNCTION ARETE THERAPEUTICS, INC. (US) 2009-07-09 WO disclosed
WO-2008112022-A1 4 -PI PERIDINYLUREA COMPOUNDS AS SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. (US) 2008-09-18 WO disclosed
US-20080227780-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. 2008-09-18 US disclosed
US-20080227780-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. 2008-09-18 US disclosed
US-20080227780-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. 2008-09-18 US 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 EPHX2 5/4885EPHX1 1/4885MEN1 4861/4885
US-20080227780-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS EPHX1, EPHX2, NCEH1 EPHX2 2/4885EPHX1 1/4885MEN1 3797/4885

“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.