SCHEMBL3968955

SCHEMBL3968955

O=C(NC1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)NC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.60
TSHR P16473 1/20 0.60
ALOX12 P18054 1/20 0.60
HTT P42858 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
EPHX2 P34913 8/20 0.50
USP2 O75604 2/20 0.50
EPHX1 P07099 7/20 0.49
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
ALDH1A1 P00352 1/20 0.47
POLB P06746 1/20 0.47
RAB9A P51151 1/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL13651513 0.87 LMNA (0.67) LMNATSHRALOX12HTTNPSR1
SCHEMBL8060768 0.83 LMNA (0.57) LMNATSHRALOX12HTTNPSR1
SCHEMBL4540005 0.83 LMNA (0.57) LMNATSHRALOX12HTTNPSR1
SCHEMBL14201947 0.81 LMNA (0.44) LMNATSHRALOX12HTTNPSR1
SCHEMBL4537343 0.81 LMNA (0.59) LMNATSHRALOX12HTTNPSR1
SCHEMBL3962534 0.80 LMNA (0.56) LMNAHTTEPHX2USP2EPHX1
SCHEMBL4539041 0.80 LMNA (0.60) LMNATSHRALOX12HTTNPSR1
SCHEMBL4011987 0.79 EPHX2 (0.73) LMNAEPHX2EPHX1ALDH1A1
SCHEMBL4539891 0.77 LMNA (0.65) LMNATSHRALOX12HTTNPSR1
SCHEMBL13651522 0.77 LMNA (0.67) LMNATSHRALOX12HTTNPSR1

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 12 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-2081898-A2 ADAMANTYLUREA COMPOUNDS AS SOLUBLE EPOXIDE HYDROLASE INHIBITORS Arete Therapeutics, INC. (US) 2009-07-29 EP claimed
US-20080200444-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. 2008-08-21 US claimed
WO-2008051875-A2 ADAMANTYLUREA 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
EP-2081898-A2 ADAMANTYLUREA COMPOUNDS AS SOLUBLE EPOXIDE HYDROLASE INHIBITORS Arete Therapeutics, INC. (US) 2009-07-29 EP disclosed
US-20080200444-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. 2008-08-21 US disclosed
US-20080200444-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. 2008-08-21 US disclosed
US-20080200444-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. 2008-08-21 US disclosed
WO-2008051875-A2 ADAMANTYLUREA 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-20080200444-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS EPHX1, EPHX2, NCEH1 LMNA 2249/4885TSHR 4368/4885ALOX12 43/4885
US-20090247521-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS FOR THE TREATMENT OF ENDOTHELIAL DYSFUNCTION EPHX1, ECE1, LIPG LMNA 2489/4885TSHR 4388/4885ALOX12 73/4885

“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.