SCHEMBL423896

SCHEMBL423896

O=C(C=C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1)NCC1CC1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.51
LMNA P02545 3/20 0.49
KMT2A Q03164 2/20 0.49
SMN1; SMN2 Q16637 3/20 0.47
HTT P42858 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
GAA P10253 3/20 0.46
MEN1 O00255 1/20 0.46
HPGD P15428 1/20 0.46
PKM P14618 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
SCHEMBL426604 0.88 GAA (0.49) KMT2AL3MBTL1GAAMEN1
SCHEMBL423618 0.86 CNR1 (0.42) CNR1L3MBTL1
SCHEMBL426646 0.85 FBP1 (0.54) LMNAKMT2ASMN1; SMN2L3MBTL1MEN1
SCHEMBL426609 0.80 EPHX2 (0.51) KMT2ASMN1; SMN2L3MBTL1MEN1PKM
SCHEMBL423871 0.80 KCNH2 (0.41) CNR1KMT2AMEN1
SCHEMBL31638623 0.80 CNR1 (0.54) CNR1LMNAKMT2ASMN1; SMN2HTT
SCHEMBL7891963 0.79 KCNH2 (0.37) CNR1SMN1; SMN2
SCHEMBL423292 0.78 LMNA (0.53) CNR1LMNAKMT2ASMN1; SMN2HTT
SCHEMBL1677238 0.78 CNR1 (0.52) CNR1LMNAKMT2ASMN1; SMN2HTT
SCHEMBL16257003 0.76 TGM2 (0.43) KMT2ASMN1; SMN2L3MBTL1MEN1PKM

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 11 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
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-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
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
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 CNR1 258/4885LMNA 2615/4885KMT2A 4025/4885

“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.