SCHEMBL10015600

SCHEMBL10015600

CN(C)C(=O)[C@H]1CC[C@@H](OS(C)(=O)=O)[C@H](NC(=O)OC(C)(C)C)C1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.39
MAOB P27338 2/20 0.37
MAOA P21397 1/20 0.37
KDM1A O60341 2/20 0.34
GAA P10253 3/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CTSK P43235 2/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
RORC P51449 2/20 0.31

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
SCHEMBL16664800 0.91 BTK (0.37) BTKMAOBMAOAKDM1ACTSK
SCHEMBL10063105 0.90 MAOB (0.42) BTKMAOBMAOAKDM1AL3MBTL1
SCHEMBL17472894 0.89 BTK (0.38) BTKMAOBMAOAKDM1AGAA
SCHEMBL17437659 0.89 CA12 (0.36) BTKGAAL3MBTL1
SCHEMBL17437664 0.89 CA12 (0.36) BTKGAAL3MBTL1
SCHEMBL17437662 0.89 CA12 (0.36) BTKGAAL3MBTL1
SCHEMBL10476741 0.86 BTK (0.53) BTKMAOBMAOAKDM1AGAA
SCHEMBL2712349 0.86 BTK (0.53) BTKMAOBMAOAKDM1AGAA
SCHEMBL2712346 0.86 BTK (0.53) BTKMAOBMAOAKDM1AGAA
SCHEMBL2709392 0.86 BTK (0.53) BTKMAOBMAOAKDM1AGAA

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2980067-B1 PROCESSES FOR PREPARING OPTICALLY ACTIVE DIAMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2017-05-17 EP disclosed
US-9447118-B2 Preparation method of optically active diamine compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2016-09-20 US disclosed
EP-2980090-A1 METHOD FOR PRODUCING (1S,4S,5S)-4-BROMO-6-OXABICYCLO[3.2.1]OCTAN-7-ONE Daiichi Sankyo Co., Ltd. (JP) 2016-02-03 EP disclosed
EP-2980067-A1 PROCESSES FOR PREPARING OPTICALLY ACTIVE DIAMINE DERIVATIVES DAIICHI SANKYO COMPANY, LIMITED (JP) 2016-02-03 EP disclosed
US-20160016974-A1 PREPARATION METHOD OF OPTICALLY ACTIVE DIAMINE COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2016-01-21 US disclosed
US-20150353577-A1 METHOD FOR PRODUCING (1S,4S,5S)-4-BROMO-6-OXABICYCLO[3.2.1]OCTAN-7-ONE DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-12-10 US disclosed
US-20150353577-A1 METHOD FOR PRODUCING (1S,4S,5S)-4-BROMO-6-OXABICYCLO[3.2.1]OCTAN-7-ONE DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-12-10 US disclosed
US-9175012-B2 Method for producing optically active diamine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-11-03 US disclosed
US-9175012-B2 Method for producing optically active diamine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-11-03 US disclosed
US-8901345-B2 Process for preparation of optically active diamine derivative salt DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-12-02 US disclosed
US-20130165657-A1 PROCESS FOR PREPARATION OF OPTICALLY ACTIVE DIAMINE DERIVATIVE SALT DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-06-27 US disclosed
US-20130165657-A1 PROCESS FOR PREPARATION OF OPTICALLY ACTIVE DIAMINE DERIVATIVE SALT DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-06-27 US disclosed
EP-2589590-A1 PROCESS FOR PREPARATION OF OPTICALLY ACTIVE DIAMINE DERIVATIVE SALT DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-05-08 EP disclosed
US-8357808-B2 Process for producing diamine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-01-22 US disclosed
US-8357808-B2 Process for producing diamine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-01-22 US disclosed
US-20120041206-A1 PROCESS FOR PRODUCING DIAMINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-02-16 US disclosed
US-20120041206-A1 PROCESS FOR PRODUCING DIAMINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-02-16 US disclosed
US-20120035369-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE DIAMINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-02-09 US disclosed
US-20120035369-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE DIAMINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-02-09 US disclosed
EP-2407450-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE DIAMINE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2012-01-18 EP 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 (5 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-20150353577-A1 METHOD FOR PRODUCING (1S,4S,5S)-4-BROMO-6-OXABICYCLO[3.2.1]OCTAN-7-ONE F7, MAOA, F13A1 BTK 635/4885MAOB 39/4885MAOA 2/4885
US-20120041206-A1 PROCESS FOR PRODUCING DIAMINE DERIVATIVE TFPI, TFPI2, DAO BTK 257/4885MAOB 46/4885MAOA 15/4885
US-20130165657-A1 PROCESS FOR PREPARATION OF OPTICALLY ACTIVE DIAMINE DERIVATIVE SALT TFPI, F12, TFPI2 BTK 235/4885MAOB 142/4885MAOA 78/4885
US-20160016974-A1 PREPARATION METHOD OF OPTICALLY ACTIVE DIAMINE COMPOUND F12, F8, F11 BTK 2151/4885MAOB 96/4885MAOA 25/4885
US-20120035369-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE DIAMINE DERIVATIVE F12, DAO, TFPI BTK 893/4885MAOB 113/4885MAOA 26/4885

“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.