SCHEMBL2943922

SCHEMBL2943922

O=NCC(C(=O)O)C(=O)O

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.32
OR51E2 Q9H255 1/20 0.32
ALDH1A1 P00352 3/20 0.32
TSHR P16473 2/20 0.32
LMNA P02545 1/20 0.32
THRB P10828 1/20 0.32
RECQL P46063 1/20 0.32
ENPEP Q07075 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
ABCB11 O95342 1/20 0.30
F2 P00734 1/20 0.30
TP53 P04637 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
ALOX15 P16050 1/20 0.30
KMT2A Q03164 1/20 0.30
HSD17B10 Q99714 1/20 0.30
CYP2C19 P33261 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
SCHEMBL15895653 0.75
SCHEMBL12434773 0.73
SCHEMBL23829518 0.73
SCHEMBL23697199 0.73
SCHEMBL22879747 0.71
SCHEMBL24982602 0.69
SCHEMBL10000293 0.65
SCHEMBL541691 0.63 GABRR1 (0.46) ENPEPTP53
SCHEMBL28466934 0.63 CA1 (0.31)
SCHEMBL786927 0.62 ENPEP (0.50) TDP1OR51E2ALDH1A1TSHRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7785616-B2 C-nitroso compounds and use thereof DUKE UNIVERSITY (US) 2010-08-31 US disclosed
US-20070258942-A1 C-Nitroso compounds and use thereof DUKE UNIVERSITY (US) 2007-11-08 US disclosed
US-7259250-B2 C-nitroso compounds and use thereof DUKE UNIVERSITY (US) 2007-08-21 US disclosed
EP-1330425-B1 C-NITROSO COMPOUNDS AND USE THEREOF UNIV DUKE (US) 2007-06-13 EP disclosed
US-7049308-B2 C-nitroso compounds and use thereof DUKE UNIVERSITY (US) 2006-05-23 US disclosed
US-7030238-B2 C-nitroso compounds and use thereof DUKE UNIVERSITY (US) 2006-04-18 US disclosed
US-20050203295-A1 C-nitroso compounds and use thereof DUKE UNIVERSITY (US) 2005-09-15 US disclosed
US-20050187166-A1 C-nitroso compounds and use thereof DUKE UNIVERSITY (US) 2005-08-25 US disclosed
US-6887994-B2 Such as dimeric 2-(4'-(alpha-nitroso)isobutyrylphenyl) propionic acid formed by nitrosylation of carbon acid; useful as nitrogen oxide donor; for treating pain/inflammation DUKE UNIVERSITY (US) 2005-05-03 US disclosed
US-20040006059-A1 C-nitroso compounds and use thereof DUKE UNIVERSITY 2004-01-08 US disclosed
US-20030176668-A1 C-nitroso compounds and use thereof STAMLER JONATHAN S (US) 2003-09-18 US disclosed
EP-1330425-A2 C-NITROSO COMPOUNDS AND USE THEREOF DUKE UNIVERSITY (US) 2003-07-30 EP disclosed
US-6538116-B2 For therapy of inflammatory or painful disorder DUKE UNIVERSITY 2003-03-25 US disclosed
US-20020077506-A1 For therapy of inflammatory or painful disorder STAMLER JONATHAN S (US) 2002-06-20 US disclosed
WO-2002034705-A2 C-NITROSO COMPOUNDS AND USE THEREOF DUKE UNIVERSITY (US) 2002-05-02 WO disclosed
US-6359182-B1 VASCULAR SYSTEM RELAXATION; ANTIINFLAMMATORY AGENTS; ANALGESICS DUKE UNIVERSITY 2002-03-19 US 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 (6 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-20050187166-A1 C-nitroso compounds and use thereof NOS2, NOS3, PRKG1 TDP1 2075/4885OR51E2 1878/4885ALDH1A1 542/4885
US-20020077506-A1 For therapy of inflammatory or painful disorder PTGS1, PTGS2, PTGER1 TDP1 3000/4885OR51E2 1392/4885ALDH1A1 321/4885
US-20050203295-A1 C-nitroso compounds and use thereof PTGS1, NOS1, NOS2 TDP1 2837/4885OR51E2 2188/4885ALDH1A1 271/4885
US-20070258942-A1 C-Nitroso compounds and use thereof NOS3, PRKG1, NOS1 TDP1 2433/4885OR51E2 1134/4885ALDH1A1 690/4885
US-20040006059-A1 C-nitroso compounds and use thereof NOS2, NOS3, NOS1 TDP1 1971/4885OR51E2 2111/4885ALDH1A1 596/4885
US-20030176668-A1 C-nitroso compounds and use thereof PTGS1, NOS1, NOS2 TDP1 2760/4885OR51E2 2470/4885ALDH1A1 327/4885

“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.