SCHEMBL423884

SCHEMBL423884

O=C(C=C1CCCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)C1)Nc1ccc(F)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 2/20 0.48
EPHX2 P34913 3/20 0.48
EPHX1 P07099 2/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
F13A1 P00488 1/20 0.46
TGM2 P21980 1/20 0.46
TGM1 P22735 1/20 0.46
ALDH1A1 P00352 3/20 0.46
THRB P10828 2/20 0.46
MAPT P10636 2/20 0.45
POLB P06746 2/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ABCC9 O60706 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
SCHEMBL423883 1.00 LIPE (0.48) LIPEEPHX2EPHX1MEN1KMT2A
SCHEMBL421552 0.82 MEN1 (0.51) LIPEEPHX2EPHX1MEN1KMT2A
SCHEMBL421551 0.82 MEN1 (0.51) LIPEEPHX2EPHX1MEN1KMT2A
SCHEMBL422101 0.82 EPHX2 (0.57) LIPEEPHX2EPHX1MEN1KMT2A
SCHEMBL423853 0.82 EPHX2 (0.57) LIPEEPHX2EPHX1MEN1KMT2A
SCHEMBL422102 0.82 EPHX2 (0.57) LIPEEPHX2EPHX1MEN1KMT2A
SCHEMBL422006 0.80 EPHX2 (0.48) LIPEEPHX2EPHX1MEN1KMT2A
SCHEMBL421306 0.80 EPHX2 (0.48) LIPEEPHX2EPHX1MEN1KMT2A
SCHEMBL421307 0.80 EPHX2 (0.48) LIPEEPHX2EPHX1MEN1KMT2A
SCHEMBL421608 0.79 LIPE (0.53) LIPEEPHX2EPHX1MEN1KMT2A

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 3 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
EP-2414332-B1 ACRYLAMIDE COMPOUNDS AND THE USE THEREOF SHIONOGI & CO (JP) 2013-10-23 EP disclosed
US-20120022069-A1 ACRYLAMIDE COMPOUNDS AND THE USE THEREOF SHIONOGI & CO., LTD. (JP) 2012-01-26 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 (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 LIPE 4481/4885EPHX2 1769/4885EPHX1 1722/4885

“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.