SCHEMBL848429

SCHEMBL848429

O=C1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.73
ALDH1A1 P00352 3/20 0.73
MEN1 O00255 2/20 0.73
MMP2 P08253 1/20 0.58
KDM4E B2RXH2 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.50
NR3C1 P04150 1/20 0.49
GAA P10253 1/20 0.49
HSD11B1 P28845 1/20 0.49
LMNA P02545 2/20 0.49
HTT P42858 1/20 0.49
GPR183 P32249 1/20 0.48
AKR1C3 P42330 2/20 0.48
AKR1C1 Q04828 1/20 0.48
TSHR P16473 1/20 0.48

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
SCHEMBL10726996 0.88 ALDH1A1 (0.86) KMT2AALDH1A1MEN1MMP2KDM4E
SCHEMBL15010078 0.85 ALDH1A1 (1.00) KMT2AALDH1A1MEN1MMP2KDM4E
SCHEMBL31684032 0.83 ALDH1A1 (0.97) KMT2AALDH1A1MEN1KDM4ESMN1; SMN2
SCHEMBL4555970 0.83 ALDH1A1 (0.97) KMT2AALDH1A1MEN1KDM4ESMN1; SMN2
SCHEMBL27974975 0.82 ALDH1A1 (0.76) KMT2AALDH1A1MEN1MMP2KDM4E
SCHEMBL12656060 0.81 KMT2A (0.53) KMT2AALDH1A1MEN1MMP2SMN1; SMN2
SCHEMBL654409 0.81 MEN1 (0.73) KMT2AALDH1A1MEN1MMP2HTT
SCHEMBL19348507 0.81 PKM (0.58) KMT2AALDH1A1MEN1SMN1; SMN2LMNA
SCHEMBL3308066 0.80 KMT2A (1.00) KMT2AALDH1A1MEN1MMP2SMN1; SMN2
SCHEMBL3918890 0.79 KMT2A (0.68) KMT2AALDH1A1MEN1GAALMNA

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-2040698-A2 OXIME COMPOUNDS AND THE USE THEREOF SHIONOGI & CO., LTD. (JP) 2009-04-01 EP disclosed
WO-2008008398-A2 OXIME COMPOUNDS AND THE USE THEREOF SHIONOGI & CO., LTD. (JP) 2008-01-17 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 3163/4885ALDH1A1 836/4885MEN1 276/4885
US-20160016956-A1 SPIROIMIDAZOLONE DERIVATIVE WNK3, REN, SGK3 KMT2A 3163/4885ALDH1A1 836/4885MEN1 276/4885

“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.