SCHEMBL676508

SCHEMBL676508

CC(O)NN1CCCCC1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MMP1 P03956 1/20 0.30
MMP2 P08253 1/20 0.30
MMP8 P22894 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TP53 P04637 1/20 0.30
GLA P06280 1/20 0.30
CYP3A4 P08684 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
ALOX12 P18054 1/20 0.30
NFKB1 P19838 1/20 0.30

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
SCHEMBL1090101 0.80 L3MBTL1 (0.34) L3MBTL1
SCHEMBL1090578 0.80 L3MBTL1 (0.34) L3MBTL1
SCHEMBL1090762 0.77
SCHEMBL15845026 0.75 SMN1; SMN2 (0.40) MEN1KMT2AALDH1A1
SCHEMBL383047 0.72 L3MBTL1 (0.39) L3MBTL1MEN1KMT2AKDM4EALDH1A1
SCHEMBL383046 0.72 L3MBTL1 (0.39) L3MBTL1MEN1KMT2AKDM4EALDH1A1
SCHEMBL2917196 0.71
SCHEMBL30619859 0.70
SCHEMBL28628583 0.70 ALDH1A1 (0.41) L3MBTL1MMP1MMP2ALDH1A1GAA
SCHEMBL3230351 0.70 ALDH1A1 (0.41) L3MBTL1MMP1MMP2ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150290277-A1 PHARMACEUTICAL COMPOSITION SUN PHARMA ADVANCED RES CO LTD (IN) 2015-10-15 US disclosed
US-9095514-B2 Pharmaceutical composition SUN PHARMA ADVANCED RESEARCH COMPANY LTD. (IN) 2015-08-04 US disclosed
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-20110275597-A1 PHARMACEUTICAL COMPOSITION SUN PHARMA ADVANCED RESEARCH COMPANY LIMITED (IN) 2011-11-10 US disclosed
EP-2379077-A2 PHARMACEUTICAL COMPOSITION Sun Pharma Advanced Research Company Limited (IN) 2011-10-26 EP disclosed
US-8003791-B2 Boronic ester and acid compounds, synthesis and uses MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-08-23 US disclosed
WO-2010089768-A2 PHARMACEUTICAL COMPOSITION SUN PHARMA ADVANCED RESEARCH COMPANY LIMITED (IN) 2010-08-12 WO disclosed
US-6066730-A Boronic ester and acid compounds, synthesis and uses PROSCRIPT, INC. 2000-05-23 US disclosed
EP-0842164-A4 CYCLIC AMIDES AND DERIVATIVES THEREOF DURHAM PHARMACEUTICALS LLC (US) 1998-10-07 EP disclosed
US-5780454-A Boronic ester and acid compounds PROSCRIPT, INC. (US) 1998-07-14 US disclosed
EP-0842164-A1 CYCLIC AMIDES AND DERIVATIVES THEREOF Durham Pharmaceuticals, LLC (US) 1998-05-20 EP disclosed
EP-0788360-A4 BORONIC ESTER AND ACID COMPOUNDS, SYNTHESIS AND USES PROSCRIPT INC (US) 1998-05-06 EP disclosed
US-5703104-A Cyclic amides and derivatives thereof DURHAM PHARMACEUTICALS LLC (US) 1997-12-30 US disclosed
EP-0788360-A1 BORONIC ESTER AND ACID COMPOUNDS, SYNTHESIS AND USES PROSCRIPT, INC. (US) 1997-08-13 EP disclosed
WO-1997003057-A1 CYCLIC AMIDES AND DERIVATIVES THEREOF DURHAM PHARMACEUTICALS, LLC (US) 1997-01-30 WO disclosed
US-5559150-A ANTICOAGULANT, ANTITUMOR, ANTIINFLAMMATORY 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 1996-09-24 US disclosed
WO-1996013266-A1 BORONIC ESTER AND ACID COMPOUNDS, SYNTHESIS AND USES PROSCRIPT, INC. (US) 1996-05-09 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 (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-20110275597-A1 PHARMACEUTICAL COMPOSITION BCAT2, TTR, BCAT1 L3MBTL1 871/4885MEN1 1824/4885KMT2A 1734/4885
US-20150290277-A1 PHARMACEUTICAL COMPOSITION BCAT2, TTR, BCAT1 L3MBTL1 871/4885MEN1 1824/4885KMT2A 1734/4885
US-20150072942-A1 BORONIC ESTER AND ACID COMPOUNDS, SYNTHESIS AND USES BCL6, BCAP31, CD79B L3MBTL1 698/4885MEN1 2373/4885KMT2A 4259/4885
US-20110306560-A1 BORONIC ESTER AND ACID COMPOUNDS, SYNTHESIS AND USES BCL6, BCAP31, CD79B L3MBTL1 698/4885MEN1 2373/4885KMT2A 4259/4885
US-20130310320-A1 BORONIC ESTER AND ACID COMPOUNDS, SYNTHESIS AND USES BCL6, BCAP31, CD79B L3MBTL1 698/4885MEN1 2373/4885KMT2A 4259/4885

“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.