SCHEMBL426161

SCHEMBL426161

COC(C(=O)NC1CC1)=C1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 7/20 0.59
EPHX1 P07099 2/20 0.58
LIPE Q05469 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
GAA P10253 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
PKM P14618 2/20 0.45
HTT P42858 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45

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
SCHEMBL16257021 0.87 KMT2A (0.51) EPHX2EPHX1MEN1KMT2AGAA
SCHEMBL425025 0.86 EPHX2 (0.48) EPHX2EPHX1LIPEMEN1KMT2A
SCHEMBL419744 0.86 EPHX2 (0.51) EPHX2EPHX1LIPEMEN1KMT2A
SCHEMBL421645 0.84 EPHX2 (0.46) EPHX2EPHX1LIPEMEN1KMT2A
SCHEMBL419730 0.82 EPHX2 (0.61) EPHX2EPHX1LIPEL3MBTL1MEN1
SCHEMBL419731 0.82 EPHX2 (0.61) EPHX2EPHX1LIPEL3MBTL1MEN1
SCHEMBL419732 0.82 EPHX2 (0.61) EPHX2EPHX1LIPEL3MBTL1MEN1
SCHEMBL426620 0.81 EPHX2 (0.49) EPHX2EPHX1LIPEL3MBTL1KMT2A
SCHEMBL420756 0.81 EPHX2 (0.61) EPHX2EPHX1LIPEL3MBTL1MEN1
SCHEMBL1676913 0.78 EPHX2 (0.63) EPHX2EPHX1LIPEL3MBTL1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8895551-B2 Acrylamide compounds and the use thereof SHIONOGI & CO., LTD. (JP) 2014-11-25 US disclosed
US-8895551-B2 Acrylamide compounds and the use thereof SHIONOGI & CO., LTD. (JP) 2014-11-25 US disclosed
EP-2414332-B1 ACRYLAMIDE COMPOUNDS AND THE USE THEREOF SHIONOGI & CO (JP) 2013-10-23 EP disclosed
EP-2414332-A1 ACRYLAMIDE COMPOUNDS AND THE USE THEREOF Shionogi & Co., Ltd. (JP) 2012-02-08 EP disclosed
US-20120022069-A1 ACRYLAMIDE COMPOUNDS AND THE USE THEREOF SHIONOGI & CO., LTD. (JP) 2012-01-26 US disclosed
US-20120022069-A1 ACRYLAMIDE COMPOUNDS AND THE USE THEREOF SHIONOGI & CO., LTD. (JP) 2012-01-26 US disclosed
WO-2010114181-A1 ACRYLAMIDE COMPOUNDS AND THE USE THEREOF SHIONOGI & CO., LTD. (JP) 2010-10-07 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-20120022069-A1 ACRYLAMIDE COMPOUNDS AND THE USE THEREOF TRPA1, TRPV1, CACNA1B EPHX2 1769/4885EPHX1 1722/4885LIPE 4481/4885

“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.