SCHEMBL426604

SCHEMBL426604

O=C(C=C1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1)NCC1CC1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.49
EPHX2 P34913 3/20 0.47
TGM2 P21980 2/20 0.47
TRPV4 Q9HBA0 4/20 0.46
EPHX1 P07099 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CCR6 P51684 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
USP5 P45974 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL423896 0.88 CNR1 (0.51) GAAMEN1KMT2AL3MBTL1
SCHEMBL426609 0.88 EPHX2 (0.51) EPHX2TGM2EPHX1MEN1KMT2A
SCHEMBL423618 0.86 CNR1 (0.42) ALDH1A1L3MBTL1HDAC6USP5
SCHEMBL423292 0.86 LMNA (0.53) MEN1KMT2AALDH1A1L3MBTL1USP5
SCHEMBL16257003 0.83 TGM2 (0.43) TGM2MEN1KMT2AALDH1A1L3MBTL1
SCHEMBL421905 0.81 EPHX2 (0.47) EPHX2TGM2EPHX1MEN1KMT2A
SCHEMBL423878 0.78 EPHX2 (0.50) EPHX2TGM2EPHX1MEN1KMT2A
SCHEMBL7891963 0.78 KCNH2 (0.37) TGM2ALDH1A1
SCHEMBL426646 0.78 FBP1 (0.54) MEN1KMT2AALDH1A1L3MBTL1HDAC6
SCHEMBL31638508 0.78 GAA (0.56) GAAEPHX2TGM2TRPV4EPHX1

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 9 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-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

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 GAA 2918/4885EPHX2 1769/4885TGM2 3257/4885

“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.