SCHEMBL847830

SCHEMBL847830

CN(CCO)S(=O)(=O)c1ccc(Br)c(C(F)(F)F)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.50
KDM4E B2RXH2 2/20 0.50
RXFP1 Q9HBX9 1/20 0.50
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 1/20 0.50
ESR1 P03372 2/20 0.46
SLC6A4 P31645 1/20 0.41
IKBKB O14920 1/20 0.39
CHUK O15111 1/20 0.39
AURKB Q96GD4 1/20 0.39
AURKAIP1 Q9NWT8 1/20 0.39
NEK1 Q96PY6 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
NAMPT P43490 1/20 0.37
HDAC4 P56524 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
SIGMAR1 Q99720 1/20 0.36
VCAM1 P19320 1/20 0.36
CASP3 P42574 1/20 0.36

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
SCHEMBL848201 0.86 SMN1; SMN2 (0.49) KMT2AMEN1ESR1GAAMAPT
SCHEMBL20765376 0.81 MAPT (0.55) KMT2AKDM4EMEN1ALDH1A1ESR1
SCHEMBL30288807 0.81 MAPT (0.55) KMT2AKDM4EMEN1ALDH1A1ESR1
SCHEMBL1510865 0.77 KMT2A (0.40) KMT2AMEN1ALDH1A1ESR1GAA
SCHEMBL1510862 0.77 KMT2A (0.40) KMT2AMEN1ALDH1A1ESR1GAA
SCHEMBL2414975 0.75 SIGMAR1 (0.57) KMT2AKDM4ERXFP1MEN1ALDH1A1
SCHEMBL14478168 0.73 KIF11 (0.50) KMT2AMEN1ESR1MAPT
SCHEMBL849965 0.73 EGFR (0.36) KMT2AMEN1MAPT
SCHEMBL2224740 0.73 KMT2A (0.52) KMT2AKDM4ERXFP1MEN1ALDH1A1
SCHEMBL28450717 0.72 KIF11 (0.41) KMT2AMEN1ESR1MAPT

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9487517-B2 Spiroimidazolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-11-08 US disclosed
US-9487517-B2 Spiroimidazolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-11-08 US disclosed
US-9487517-B2 Spiroimidazolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-11-08 US disclosed
US-20160016956-A1 SPIROIMIDAZOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-01-21 US disclosed
US-20160016956-A1 SPIROIMIDAZOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-01-21 US disclosed
EP-2433940-B9 SPIROIMIDAZOLONE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2015-10-28 EP disclosed
US-9169254-B2 Spiroimidazolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-10-27 US disclosed
US-9169254-B2 Spiroimidazolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-10-27 US disclosed
US-9169254-B2 Spiroimidazolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-10-27 US disclosed
EP-2433940-B1 SPIROIMIDAZOLONE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2014-09-24 EP disclosed
US-20120270838-A1 SPIROIMIDAZOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-10-25 US disclosed
US-20120270838-A1 SPIROIMIDAZOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-10-25 US disclosed
US-20120270838-A1 SPIROIMIDAZOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-10-25 US disclosed
EP-2433940-A1 SPIROIMIDAZOLONE DERIVATIVE Chugai Seiyaku Kabushiki Kaisha (JP) 2012-03-28 EP disclosed
EP-2433940-A1 SPIROIMIDAZOLONE DERIVATIVE Chugai Seiyaku Kabushiki Kaisha (JP) 2012-03-28 EP disclosed
WO-2010126030-A1 SPIROIMIDAZOLONE DERIVATIVE 中外製薬株式会社 (JP) 2010-11-04 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 (2 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-20120270838-A1 SPIROIMIDAZOLONE DERIVATIVE WNK3, REN, SGK3 KMT2A 3163/4885KDM4E 2949/4885RXFP1 187/4885
US-20160016956-A1 SPIROIMIDAZOLONE DERIVATIVE WNK3, REN, SGK3 KMT2A 3163/4885KDM4E 2949/4885RXFP1 187/4885

“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.