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SCHEMBL2709392

SCHEMBL2709392

CC(C)(C)OC(=O)N[C@@H]1C[C@@H](C(=O)O)CC[C@H]1OS(C)(=O)=O

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 1/20 0.53
▸ KMT2A Q03164 2/20 0.38
▸ MAOB P27338 2/20 0.37
▸ KDM1A O60341 2/20 0.37
▸ MAOA P21397 1/20 0.37
▸ CTSK P43235 2/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ NFKB2 Q00653 1/20 0.33
▸ RELA Q04206 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ GAA P10253 2/20 0.32
▸ RORC P51449 2/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ EPHX1 P07099 1/20 0.32

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
SCHEMBL10476741 1.00 BTK (0.53) BTKKMT2AMAOBKDM1AMAOA
SCHEMBL2712346 1.00 BTK (0.53) BTKKMT2AMAOBKDM1AMAOA
SCHEMBL2712349 1.00 BTK (0.53) BTKKMT2AMAOBKDM1AMAOA
SCHEMBL10476572 0.91 BTK (0.52) BTKKMT2AMAOBKDM1AMAOA
SCHEMBL4367929 0.91 BTK (0.52) BTKKMT2AMAOBKDM1AMAOA
SCHEMBL4090000 0.91 BTK (0.52) BTKKMT2AMAOBKDM1AMAOA
SCHEMBL10063319 0.87 BTK (0.39) BTKMAOBKDM1AMAOACTSK
SCHEMBL10015600 0.86 BTK (0.39) BTKMAOBKDM1AMAOACTSK
SCHEMBL16664800 0.84 BTK (0.37) BTKMAOBKDM1AMAOACTSK
SCHEMBL714292 0.84 KMT2A (0.44) BTKKMT2AMAOBKDM1AMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1925611-B1 OPTICALLY ACTIVE DIAMINE DERIVATIVE AND PROCESS FOR PRODUCING THE SAME DAIICHI SANKYO CO LTD (JP) 2016-04-13 — — EP disclosed
EP-2431370-B1 Monoacylated 1,2-diaminocycloalkanes DAIICHI SANKYO CO LTD (JP) 2013-06-19 — — EP disclosed
EP-1405852-B9 DIAMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2013-03-27 — — EP disclosed
EP-1405852-B1 DIAMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2012-08-01 — — EP disclosed
EP-1415992-B1 DIAMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2012-05-02 — — EP disclosed
US-20110312990-A1 Diamine Derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-12-22 — — US disclosed
US-20090270446-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-10-29 — — US disclosed
US-20090227789-A1 ETHYLENEDIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-09-10 — — US disclosed
US-20090105491-A1 OPTICALLY ACTIVE DIAMINE DERIVATIVE AND PROCESS FOR PRODUCING THE SAME DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-04-23 — — US disclosed
EP-1925611-A1 OPTICALLY ACTIVE DIAMINE DERIVATIVE AND PROCESS FOR PRODUCING THE SAME Daiichi Sankyo Company, Limited (JP) 2008-05-28 — — EP disclosed
US-7365205-B2 Cyclic diamine derivatives useful as agents for preventing and/or treating cerebral infarction, cerebral embolism, myocardial infarction, angina pectoris, pulmonary infarction, pulmonary embolism; inhibit activated blood coagulation factor X DAIICHI SANKYO COMPANY, LIMITED (JP) 2008-04-29 — — US disclosed
US-7342014-B2 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-03-11 — — US disclosed
US-20080015215-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-01-17 — — US disclosed
US-7192968-B2 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-03-20 — — US disclosed
US-20060004009-A1 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-01-05 — — US disclosed
US-20050020645-A1 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-01-27 — — US disclosed
US-20040122063-A1 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-06-24 — — US disclosed
EP-1415992-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-05-06 — — EP disclosed
EP-1405852-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-04-07 — — EP disclosed
EP-1270557-A1 ETHYLENEDIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-01-02 — — 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 (8 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-20090270446-A1 DIAMINE DERIVATIVES F2, TFPI, F3 BTK 420/4885KMT2A 1453/4885MAOB 161/4885
US-20060004009-A1 Ethylenediamine derivatives F2, ECE1, MLLT1 BTK 1597/4885KMT2A 1593/4885MAOB 1211/4885
US-20090105491-A1 OPTICALLY ACTIVE DIAMINE DERIVATIVE AND PROCESS FOR PRODUCING THE SAME TFPI, F2, SERPINC1 BTK 1647/4885KMT2A 3202/4885MAOB 72/4885
US-20050020645-A1 Diamine derivatives C9, C1S, C1R BTK 1281/4885KMT2A 3485/4885MAOB 2147/4885
US-20080015215-A1 DIAMINE DERIVATIVES C9, C1S, C1R BTK 1281/4885KMT2A 3485/4885MAOB 2147/4885
US-20110312990-A1 Diamine Derivatives C9, C1S, C1R BTK 1384/4885KMT2A 3461/4885MAOB 2497/4885
US-20090227789-A1 ETHYLENEDIAMINE DERIVATIVES F2, ECE1, MLLT1 BTK 1597/4885KMT2A 1593/4885MAOB 1211/4885
US-20040122063-A1 Ethylenediamine derivatives ECE1, F2, ECE2 BTK 1123/4885KMT2A 980/4885MAOB 609/4885

“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.