SCHEMBL4089403

SCHEMBL4089403

O=C(Nc1ccc(C(F)(F)F)cc1)Nc1cc(C(=O)N2CCOCC2)cs1

nearest known ligand 0.73

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 15/20 0.73
HPGD P15428 3/20 0.49
ALDH1A1 P00352 2/20 0.49
HTT P42858 2/20 0.49
NPC1 O15118 1/20 0.49
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
TP53 P04637 1/20 0.49
MLYCD O95822 1/20 0.48

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
SCHEMBL4088963 0.89 EPHX2 (0.65) EPHX2HPGDALDH1A1HTTNPC1
SCHEMBL3939273 0.85 EPHX2 (1.00) EPHX2HPGDALDH1A1HTTNPC1
SCHEMBL3347907 0.81 EPHX2 (1.00) EPHX2HPGDALDH1A1HTTNPC1
SCHEMBL4089477 0.81 EPHX2 (0.69) EPHX2HPGD
SCHEMBL4089480 0.80 EPHX2 (0.75) EPHX2HPGDALDH1A1HTTNPC1
SCHEMBL4092633 0.79 EPHX2 (0.73) EPHX2HPGDALDH1A1HTTNPC1
SCHEMBL3939192 0.77 EPHX2 (1.00) EPHX2HPGDALDH1A1HTTNPC1
SCHEMBL3947089 0.77 EPHX2 (1.00) EPHX2
SCHEMBL18657815 0.77 EPHX2 (0.80) EPHX2HPGDALDH1A1HTTNPC1
SCHEMBL4079056 0.77 EPHX2 (0.77) EPHX2HPGDALDH1A1NPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090082350-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. 2009-03-26 US claimed
US-20090082350-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. 2009-03-26 US disclosed
US-20090082350-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. 2009-03-26 US disclosed
US-20090082350-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. 2009-03-26 US disclosed
WO-2009035949-A2 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. (US) 2009-03-19 WO disclosed
WO-2009035949-A2 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. (US) 2009-03-19 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 (1 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-20090082350-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS EPHX1, EPHX2, NCEH1 EPHX2 2/4885HPGD 48/4885ALDH1A1 528/4885

“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.