SCHEMBL517882

SCHEMBL517882

C[CH]OP(=O)(OCC)OCC

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.60
TP53 P04637 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
PPARD Q03181 2/20 0.36
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP3A4 P08684 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
BCHE P06276 1/20 0.32
ACHE P22303 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
SCHEMBL4822874 0.80 TSHR (0.55) TSHRTP53TDP1PPARDMEN1
SCHEMBL27192898 0.79 TSHR (0.60) TSHRTP53TDP1PPARDMEN1
SCHEMBL283986 0.77 TSHR (0.57) TSHRTP53TDP1PPARDMEN1
Triethyl Phosphate SCHEMBL27822049 0.76 TSHR (1.00) TSHRTP53TDP1PPARDMEN1
Triethyl Phosphate SCHEMBL28023664 0.76 TSHR (1.00) TSHRTP53TDP1PPARDMEN1
Triethyl Phosphate SCHEMBL21887 0.76 TSHR (1.00) TSHRTP53TDP1PPARDMEN1
Triethyl Phosphate SCHEMBL1332591 0.76 TSHR (1.00) TSHRTP53TDP1PPARDMEN1
Triethyl Phosphate SCHEMBL23092283 0.74 TSHR (0.93) TSHRTP53TDP1PPARDMEN1
Triethyl Phosphate SCHEMBL11296643 0.74 TSHR (0.93) TSHRTP53TDP1PPARDMEN1
Triethyl Phosphate SCHEMBL28548922 0.74 TSHR (0.93) TSHRTP53TDP1PPARDMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2427186-B1 DIHYDROOROTATE-DEHYDROGENASEE INHIBITORS AS VIROSTATIC COMPOUNDS PANOPTES PHARMA GES M B H (AT) 2022-01-12 EP disclosed
EP-3243511-A1 PRODRUGS OF MONOMETHYLFUMARATE (MMF) ratiopharm GmbH (DE) 2017-11-15 EP disclosed
US-8354433-B2 Anti-inflammatory agents as virostatic compounds 4SC AG (DE) 2013-01-15 US disclosed
US-20120028985-A1 COMBINATIONAL THERAPY FOR TREATING AUTOIMMUNE DISEASE 4SC AG (DE) 2012-02-02 US disclosed
EP-2362771-A1 COMBINATIONAL THERAPY COMPRISING DHODH INHIBITOR AND METHOTREXATE FOR TREATING AUTOIMMUNE DISEASE 4SC AG (DE) 2011-09-07 EP disclosed
EP-1578741-B1 AROMATIC COMPOUNDS AS ANTI-INFLAMMATORY, IMMUNOMODULATORY AND ANTI-PROLIFERATORY AGENTS 4SC AG (DE) 2011-07-13 EP disclosed
US-20100280081-A1 ANTI-INFLAMMATORY AGENTS AS VIROSTATIC COMPOUNDS 4SC AG (DE) 2010-11-04 US disclosed
WO-2010052027-A1 COMBINATIONAL THERAPY COMPRISING DHODH INHIBITOR AND METHOTREXATE FOR TREATING AUTOIMMUNE DISEASE 4SC AG (DE) 2010-05-14 WO disclosed
EP-1392642-B1 NOVEL COMPOUNDS AS ANTI-INFLAMMATORY, IMMUNOMODULATORY AND ANTI-PROLIFERATORY AGENTS 4SC AG (DE) 2009-12-09 EP disclosed
EP-1581477-B1 CYCLOALKENE DICARBOXYLIC ACID COMPOUNDS AS ANTI-INFLAMMATORY, IMMUNOMODULATORY AND ANTI-PROLIFERATORY AGENTS 4SC AG (DE) 2009-12-02 EP disclosed
EP-1541198-A1 Cycloalkyl compounds as anti-inflammatory, immunomodulatory and anti-proliferatory agents 4SC AG (DE) 2005-06-15 EP disclosed
US-20040192758-A1 Novel compounds as anti-inflammatory, immunomodulatory and anti-proliferatory agents 4SC AG (DE) 2004-09-30 US disclosed
US-20040176458-A1 Novel compounds as anti-inflammatory, immunomodulatory and anti-proliferatory agents 4 SC AG (DE) 2004-09-09 US disclosed
WO-2004056797-A1 AROMATIC COMPOUNDS AS ANTI-INFLAMMATORY, IMMUNOMODULATORY AND ANTI-PROLIFERATORY AGENTS 4SC AG (DE) 2004-07-08 WO disclosed
WO-2004056746-A1 CYCLOALKENE DICARBOXYLIC ACID COMPOUNDS AS ANTI-INFLAMMATORY, IMMUNOMODULATORY AND ANTI-PROLIFERATORY AGENTS 4SC AG (DE) 2004-07-08 WO disclosed
EP-1392642-A2 NOVEL COMPOUNDS AS ANTI-INFLAMMATORY, IMMUNOMODULATORY AND ANTI-PROLIFERATORY AGENTS 4SC AG (DE) 2004-03-03 EP disclosed
WO-2003006425-A9 NOVEL COMPOUNDS AS ANTI-INFLAMMATORY, IMMUNOMODULATORY AND ANTI-PROLIFERATORY AGENTS 4SC AG (DE) 2004-02-26 WO disclosed
US-20030203951-A1 Novel compounds as anti-inflammatory, immunomodulatory and anti-proliferatory agents 4SC AG (DE) 2003-10-30 US disclosed
WO-2003006425-A2 NOVEL COMPOUNDS AS ANTI-INFLAMMATORY, IMMUNOMODULATORY AND ANTI-PROLIFERATORY AGENTS 4SC AG (DE) 2003-01-23 WO disclosed
WO-2003006424-A1 NOVEL COMPOUNDS AS ANTI-INFLAMMATORY, IMMUNOMODULATORY AND ANTI-PROLIFERATORY AGENTS 4SC AG (DE) 2003-01-23 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-20030203951-A1 Novel compounds as anti-inflammatory, immunomodulatory and anti-proliferatory agents DHODH, DLD, GCDH TSHR 4756/4885TP53 1413/4885TDP1 1341/4885
US-20120028985-A1 COMBINATIONAL THERAPY FOR TREATING AUTOIMMUNE DISEASE HLA-DRB1, IL2, SSB TSHR 1542/4885TP53 3791/4885TDP1 3217/4885
US-20040176458-A1 Novel compounds as anti-inflammatory, immunomodulatory and anti-proliferatory agents MSR1, PPARG, PPARA TSHR 1037/4885TP53 3574/4885TDP1 3902/4885
US-20100280081-A1 ANTI-INFLAMMATORY AGENTS AS VIROSTATIC COMPOUNDS TNF, MIF, IL1B TSHR 4652/4885TP53 1801/4885TDP1 2616/4885
US-20040192758-A1 Novel compounds as anti-inflammatory, immunomodulatory and anti-proliferatory agents PPARG, PPARD, PPARA TSHR 2930/4885TP53 2176/4885TDP1 2938/4885

“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.