SCHEMBL420867

SCHEMBL420867

CN(Cc1ccc(F)cc1)C(=O)C=C1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.43
BDKRB1 P46663 1/20 0.42
ALDH1A1 P00352 3/20 0.42
GAA P10253 3/20 0.42
LMNA P02545 2/20 0.42
MAPT P10636 1/20 0.42
LIPE Q05469 1/20 0.42
EPHX2 P34913 2/20 0.41
EPHX1 P07099 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PKM P14618 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
CYP2C19 P33261 1/20 0.40
LSS P48449 1/20 0.40

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
SCHEMBL424734 0.81 MEN1 (0.51) SCN9AALDH1A1LMNAMAPTEPHX2
SCHEMBL422363 0.79 EPHX2 (0.52) SCN9ALIPEEPHX2EPHX1MEN1
SCHEMBL426268 0.79 LIPE (0.48) SCN9AGAALIPEEPHX2EPHX1
SCHEMBL10157358 0.76 KMT2A (0.47) SCN9AALDH1A1LIPEEPHX2EPHX1
SCHEMBL10157300 0.75 EPHX2 (0.48) ALDH1A1LIPEEPHX2EPHX1MEN1
SCHEMBL422005 0.74 EPHX2 (0.47) SCN9ALIPEEPHX2EPHX1MEN1
SCHEMBL424399 0.74 KMT2A (0.43) SCN9AMAPTLIPEEPHX2EPHX1
SCHEMBL426818 0.74 MEN1 (0.45) SCN9AMAPTLIPEEPHX2EPHX1
SCHEMBL421553 0.73 PKM (0.43) SCN9AMAPTLIPEEPHX2EPHX1
SCHEMBL422000 0.73 EPHX2 (0.48) SCN9AMAPTLIPEEPHX2EPHX1

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 SCN9A 87/4885BDKRB1 701/4885ALDH1A1 809/4885

“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.