SCHEMBL422776

SCHEMBL422776

O=C(C=C1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1)NCC1CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.49
LMNA P02545 3/20 0.49
TDP1 Q9NUW8 1/20 0.49
EPHX2 P34913 1/20 0.48
TSHR P16473 1/20 0.46
ALDH1A1 P00352 4/20 0.45
POLB P06746 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
MAPK1 P28482 1/20 0.43
MMP8 P22894 1/20 0.43
MMP12 P39900 1/20 0.43
MMP13 P45452 1/20 0.43
PKM P14618 1/20 0.43
CHRM5 P08912 1/20 0.42
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL423292 0.81 LMNA (0.53) L3MBTL1LMNAALDH1A1POLBSMN1; SMN2
SCHEMBL426646 0.78 FBP1 (0.54) L3MBTL1LMNAALDH1A1POLBSMN1; SMN2
SCHEMBL426604 0.74 GAA (0.49) L3MBTL1EPHX2ALDH1A1GAA
SCHEMBL16257003 0.73 TGM2 (0.43) L3MBTL1TDP1ALDH1A1SMN1; SMN2PKM
SCHEMBL426609 0.73 EPHX2 (0.51) L3MBTL1EPHX2ALDH1A1SMN1; SMN2PKM
SCHEMBL423896 0.71 CNR1 (0.51) L3MBTL1LMNASMN1; SMN2PKMGAA
SCHEMBL423618 0.71 CNR1 (0.42) L3MBTL1ALDH1A1
SCHEMBL15338618 0.70 ALOX15 (0.39) TDP1TSHRKDM4EMAPT
SCHEMBL421905 0.68 EPHX2 (0.47) LMNATDP1EPHX2ALDH1A1POLB
SCHEMBL14057258 0.67 TGM2 (0.52) L3MBTL1LMNATDP1TSHRALDH1A1

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
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
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

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 L3MBTL1 4394/4885LMNA 2615/4885TDP1 2694/4885

“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.