Sugi Predict

Sugi Predict / Compounds / SCHEMBL421608

SCHEMBL421608

SCHEMBL421608

O=C(C=C1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1)Nc1ccc(Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LIPE Q05469 1/20 0.53
▸ EPHX2 P34913 3/20 0.52
▸ EPHX1 P07099 2/20 0.52
▸ ALDH1A1 P00352 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ MAPT P10636 2/20 0.48
▸ PKM P14618 1/20 0.48
▸ KMT2A Q03164 3/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ ALOX12 P18054 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ CA12 O43570 1/20 0.47
▸ CA1 P00915 1/20 0.47
▸ CA2 P00918 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
SCHEMBL423894 0.90 LIPE (0.60) LIPEEPHX2EPHX1ALDH1A1MAPT
SCHEMBL422363 0.80 EPHX2 (0.52) LIPEEPHX2EPHX1KMT2AMEN1
SCHEMBL420756 0.80 EPHX2 (0.61) LIPEEPHX2EPHX1ALDH1A1KMT2A
SCHEMBL422000 0.80 EPHX2 (0.48) LIPEEPHX2EPHX1MAPTPKM
SCHEMBL10157300 0.80 EPHX2 (0.48) LIPEEPHX2EPHX1ALDH1A1SMN1; SMN2
SCHEMBL423883 0.79 LIPE (0.48) LIPEEPHX2EPHX1ALDH1A1SMN1; SMN2
SCHEMBL423884 0.79 LIPE (0.48) LIPEEPHX2EPHX1ALDH1A1SMN1; SMN2
SCHEMBL425024 0.79 EGLN1 (0.53) LIPEEPHX2EPHX1KMT2AMEN1
SCHEMBL421808 0.78 LIPE (0.52) LIPEEPHX2EPHX1ALDH1A1SMN1; SMN2
SCHEMBL426609 0.78 EPHX2 (0.51) LIPEEPHX2EPHX1ALDH1A1SMN1; SMN2

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 8 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
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 LIPE 4481/4885EPHX2 1769/4885EPHX1 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.