SCHEMBL3869217

SCHEMBL3869217

C[C](C)C(NC(C)=O)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
THRB P10828 2/20 0.44
RECQL P46063 2/20 0.44
NFKB1 P19838 2/20 0.44
MAPT P10636 1/20 0.44
ALOX15 P16050 1/20 0.44
PTGS2 P35354 1/20 0.44
THPO P40225 1/20 0.44
BLM P54132 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 2/20 0.43
CA2 P00918 1/20 0.33
PTGS1 P23219 1/20 0.33
MMP12 P39900 1/20 0.33
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
CYP1A2 P05177 1/20 0.32
TP53 P04637 1/20 0.32
FFAR3 O14843 1/20 0.32
LCK P06239 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
SCHEMBL143910 0.88 KDM4E (0.48) KDM4ETHRBRECQLNFKB1MAPT
SCHEMBL9614381 0.86 KDM4E (0.46) KDM4ETHRBRECQLNFKB1MAPT
SCHEMBL9336407 0.83 KDM4E (0.44) KDM4ETHRBRECQLNFKB1MAPT
SCHEMBL24938422 0.79 KDM4E (0.41) KDM4ETHRBRECQLNFKB1MAPT
SCHEMBL2165150 0.79 ALOX15 (0.41) KDM4ETHRBRECQLNFKB1MAPT
Butane SCHEMBL5183779 0.79 KDM4E (0.46) KDM4ETHRBRECQLNFKB1MAPT
SCHEMBL6986221 0.77 SMN1; SMN2 (0.40) KDM4ETHRBRECQLNFKB1MAPT
SCHEMBL17483032 0.77 SMN1; SMN2 (0.40) KDM4ETHRBRECQLNFKB1MAPT
SCHEMBL27842807 0.75 MAPT (0.43) KDM4ETHRBRECQLNFKB1MAPT
SCHEMBL6118521 0.75 MAPT (0.43) KDM4ETHRBRECQLNFKB1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090215838-A1 ORGANIC NITRIC OXIDE ENHANCING SALTS OF ANGIOTENSIN II ANTAGONISTS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2009-08-27 US disclosed
US-20090048219-A1 ORGANIC NITRIC OXIDE DONOR SALTS OF NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE NITROMED INC. (US) 2009-02-19 US disclosed
US-20090042819-A1 Organic nitric oxide donor salts of antimicrobial compounds, compositions and methods of use NITROMED, INC. (US) 2009-02-12 US disclosed
US-20080293678-A1 Organic Nitric Oxide Donor Salts of Angiotensin Converting Enzyme Inhibitors, Compositions and Methods of Use NITROMED, INC. (US) 2008-11-27 US disclosed
EP-1883614-A2 ORGANIC NITRIC OXIDE ENHANCING SALTS OF NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE Nitromed, Inc. (US) 2008-02-06 EP disclosed
EP-1877374-A1 ORGANIC NITRIC OXIDE ENHANCING SALTS OF ANGIOTENSIN CONVERTING ENZYME INHIBITORS, COMPOSITIONS AND METHODS OF USE Nitromed, Inc. (US) 2008-01-16 EP disclosed
EP-1861093-A2 ORGANIC NITRIC OXIDE ENHANCING SALTS OF ANGIOTENSIN II ANTAGONISTS, COMPOSITIONS AND METHODS OF USE Nitromed, Inc. (US) 2007-12-05 EP disclosed
EP-1858525-A2 ORGANIC NITRIC OXIDE DONOR SALTS OF ANTIMICROBIAL COMPOUNDS, COMPOSITIONS AND METHODS OF USE Nitromed, Inc. (US) 2007-11-28 EP disclosed
WO-2007123818-A2 ORGANIC NITRIC OXIDE ENHANCING SALTS OF PROSTAGLANDINS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2007-11-01 WO disclosed
WO-2007086884-A2 ORGANIC NITRIC OXIDE DONOR SALTS OF ANTIMICROBIAL COMPOUNDS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2007-08-02 WO disclosed
WO-2007016136-A2 ORGANIC NITRIC OXIDE ENHANCING SALTS OF CYCLOOXYGENASE-2 SELECTIVE INHIBITORS, COMPOSITONS AND METHODS OF USE NITROMED, INC. (US) 2007-02-08 WO disclosed
WO-2006127591-A2 ORGANIC NITRIC OXIDE ENHANCING SALTS OF NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2006-11-30 WO disclosed
WO-2006102071-A1 ORGANIC NITRIC OXIDE ENHANCING SALTS OF ANGIOTENSIN CONVERTING ENZYME INHIBITORS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2006-09-28 WO disclosed
WO-2006099058-A2 ORGANIC NITRIC OXIDE ENHANCING SALTS OF ANGIOTENSIN II ANTAGONISTS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2006-09-21 WO disclosed
WO-2002016405-A1 S-NITROSOTHIOLS AND THEIR USE AS MEDICAMENTS FOR CARDIOVASCULAR DISEASES KING'S COLLEGE LONDON (GB) 2002-02-28 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 (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-20090048219-A1 ORGANIC NITRIC OXIDE DONOR SALTS OF NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE NOS3, NOS1, NOS2 KDM4E 3739/4885THRB 2755/4885RECQL 1115/4885
US-20090215838-A1 ORGANIC NITRIC OXIDE ENHANCING SALTS OF ANGIOTENSIN II ANTAGONISTS, COMPOSITIONS AND METHODS OF USE NOS2, NOS3, NOS1 KDM4E 3183/4885THRB 760/4885RECQL 1857/4885
US-20080293678-A1 Organic Nitric Oxide Donor Salts of Angiotensin Converting Enzyme Inhibitors, Compositions and Methods of Use NOS3, REN, NOS1 KDM4E 1236/4885THRB 1590/4885RECQL 557/4885
US-20090042819-A1 Organic nitric oxide donor salts of antimicrobial compounds, compositions and methods of use NOS1, NOS2, NOS3 KDM4E 3754/4885THRB 3668/4885RECQL 381/4885

“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.