SCHEMBL424511

SCHEMBL424511

O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCC(CO)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 6/20 0.60
LIPE Q05469 2/20 0.57
EPHX1 P07099 2/20 0.55
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
CYP3A4 P08684 1/20 0.49
CYP2C19 P33261 1/20 0.49
DPP4 P27487 1/20 0.48
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47
MMP2 P08253 1/20 0.47

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
SCHEMBL1676915 0.86 EPHX2 (0.62) EPHX2LIPEEPHX1MEN1KMT2A
SCHEMBL2171815 0.86 EPHX2 (0.61) EPHX2LIPEEPHX1MEN1KMT2A
SCHEMBL421636 0.81 EPHX2 (0.57) EPHX2LIPEEPHX1MEN1KMT2A
SCHEMBL1677120 0.81 EPHX2 (0.57) EPHX2LIPEEPHX1MEN1KMT2A
SCHEMBL7955680 0.81 MEN1 (0.60) EPHX2LIPEEPHX1MEN1KMT2A
SCHEMBL7949461 0.81 HSD11B1 (0.60) EPHX2LIPEEPHX1MEN1KMT2A
SCHEMBL29460579 0.81 MEN1 (0.62) EPHX2MEN1KMT2A
SCHEMBL424421 0.80 EPHX2 (0.65) EPHX2LIPEEPHX1MEN1KMT2A
SCHEMBL309646 0.80 MAPT (0.58) EPHX2LIPEEPHX1MEN1KMT2A
SCHEMBL31638423 0.80 EPHX2 (0.56) EPHX2LIPEEPHX1MEN1KMT2A

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
CN-102428069-B Acrylamide compounds and the use thereof SHIONOGI & CO 2014-04-02 CN disclosed
EP-2414332-B1 ACRYLAMIDE COMPOUNDS AND THE USE THEREOF SHIONOGI & CO (JP) 2013-10-23 EP disclosed
CN-102428069-A Acrylamide compound and use thereof SHIONOGI & CO 2012-04-25 CN 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
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 EPHX2 1769/4885LIPE 4481/4885EPHX1 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.