SCHEMBL2295759

SCHEMBL2295759

O=C(O)[C@@H](CC(=O)N1CCOCC1)Cc1cccc2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.49
MEN1 O00255 3/20 0.49
ALDH1A1 P00352 4/20 0.46
HPGD P15428 1/20 0.46
KDM4E B2RXH2 4/20 0.46
TSHR P16473 2/20 0.46
HSD17B10 Q99714 1/20 0.46
PIN1 Q13526 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
REN P00797 1/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
MAPT P10636 2/20 0.45
FKBP1A P62942 2/20 0.44
CTNNB1 P35222 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.44

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
SCHEMBL5709588 1.00 KMT2A (0.49) KMT2AMEN1ALDH1A1HPGDKDM4E
SCHEMBL7301131 1.00 KMT2A (0.49) KMT2AMEN1ALDH1A1HPGDKDM4E
SCHEMBL7433845 0.89 KDM4E (0.45) KMT2AMEN1ALDH1A1HPGDKDM4E
SCHEMBL11981992 0.89 REN (0.48) KMT2AMEN1ALDH1A1HPGDKDM4E
SCHEMBL13840602 0.89 REN (0.48) KMT2AMEN1ALDH1A1HPGDKDM4E
SCHEMBL7433838 0.89 KDM4E (0.45) KMT2AMEN1ALDH1A1HPGDKDM4E
SCHEMBL10751934 0.89 CTNNB1 (0.47) KMT2AMEN1ALDH1A1HPGDKDM4E
SCHEMBL7289410 0.89 CTNNB1 (0.47) KMT2AMEN1ALDH1A1HPGDKDM4E
SCHEMBL421814 0.88 REN (0.48) KMT2AMEN1ALDH1A1HPGDKDM4E
SCHEMBL13839332 0.88 REN (0.48) KMT2AMEN1ALDH1A1HPGDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150072942-A1 BORONIC ESTER AND ACID COMPOUNDS, SYNTHESIS AND USES MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-03-12 US disclosed
US-20130310320-A1 BORONIC ESTER AND ACID COMPOUNDS, SYNTHESIS AND USES MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-11-21 US disclosed
US-8378099-B2 Boronic ester and acid compounds, synthesis and uses MILLENNIUM PHARMACUETICALS, INC. (US) 2013-02-19 US disclosed
US-20110306560-A1 BORONIC ESTER AND ACID COMPOUNDS, SYNTHESIS AND USES MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-12-15 US disclosed
US-8003791-B2 Boronic ester and acid compounds, synthesis and uses MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-08-23 US disclosed
US-20090247731-A1 BORONIC ESTER AND ACID COMPOUNDS, SYNTHESIS AND USES MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-10-01 US disclosed
EP-0788360-B3 BORONIC ESTER AND ACID COMPOUNDS, SYNTHESIS AND USES MILLENNIUM PHARM INC (US) 2009-08-12 EP disclosed
US-7531526-B2 Boronic ester and acid compounds, synthesis and uses MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-05-12 US disclosed
EP-1997823-A1 Boronic ester and acid compounds, synthesis and uses Millennium Pharmaceuticals, Inc. (US) 2008-12-03 EP disclosed
EP-1627880-B1 Boronic ester and acid compounds, synthesis and uses MILLENNIUM PHARM INC (US) 2008-10-15 EP disclosed
US-5039664-A Hypotensive agent MERCK & CO., INC. (US) 1991-08-13 US disclosed
US-5037807-A Hypotensive agents; for treatment of congestive heart failure MERCK & CO., INC. (US) 1991-08-06 US disclosed
EP-0427939-A2 Renin inhibitors AMERICAN CYANAMID COMPANY (US) 1991-05-22 EP disclosed
EP-0416393-A1 Peptidyl difluorodiol renin inhibitors ABBOTT LABORATORIES (US) 1991-03-13 EP disclosed
EP-0341602-A2 Renin-inhibiting functionalized peptidyl aminodiols and - triols ABBOTT LABORATORIES (US) 1989-11-15 EP disclosed
EP-0326364-A2 Renin inhibitory oligopeptides, their preparation and use Sankyo Company Limited (JP) 1989-08-02 EP disclosed
US-4839357-A TREATMENT OF HYPERTENSION, CONGESTIVE HEART FAILURE MERCK & CO., INC. (US) 1989-06-13 US disclosed
US-4826958-A HYPOTENSIVE AGENTS ABBOTT LABORATORIES (US) 1989-05-02 US disclosed
EP-0278158-A2 Renin inhibitors containing phenylalanyl-histidine replacements MERCK & CO. INC. (US) 1988-08-17 EP disclosed
EP-0274259-A2 New renin-inhibitory oligopeptides, their preparaton and their use Sankyo Company Limited (JP) 1988-07-13 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 (4 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-20150072942-A1 BORONIC ESTER AND ACID COMPOUNDS, SYNTHESIS AND USES BCL6, BCAP31, CD79B KMT2A 4259/4885MEN1 2373/4885ALDH1A1 3283/4885
US-20110306560-A1 BORONIC ESTER AND ACID COMPOUNDS, SYNTHESIS AND USES BCL6, BCAP31, CD79B KMT2A 4259/4885MEN1 2373/4885ALDH1A1 3283/4885
US-20090247731-A1 BORONIC ESTER AND ACID COMPOUNDS, SYNTHESIS AND USES BCL6, BCAP31, CD79B KMT2A 4259/4885MEN1 2373/4885ALDH1A1 3283/4885
US-20130310320-A1 BORONIC ESTER AND ACID COMPOUNDS, SYNTHESIS AND USES BCL6, BCAP31, CD79B KMT2A 4259/4885MEN1 2373/4885ALDH1A1 3283/4885

“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.